7463
  DSViewer          3D                             0

 24 24  0  0  0  0  0  0  0  0999 V2000
    2.8537    2.4274    0.0453 C   0  0  0  0  0  0  0  0  0  1
    2.8461    0.9201    0.0288 C   0  0  0  0  0  0  0  0  0  2
    4.1346    2.9691   -0.6185 C   0  0  0  0  0  0  0  0  0  3
    1.5795    2.9865   -0.6193 C   0  0  0  0  0  0  0  0  0  4
    1.6900    0.2568    0.0272 C   0  0  0  0  0  0  0  0  0  5
    4.1125    0.1799    0.0208 C   0  0  0  0  0  0  0  0  0  6
    2.8347   -1.8782    0.0058 C   0  0  0  0  0  0  0  0  0  7
    1.6841   -1.2074    0.0142 C   0  0  0  0  0  0  0  0  0  8
    4.1065   -1.1518    0.0097 C   0  0  0  0  0  0  0  0  0  9
    2.8281   -3.3787   -0.0074 C   0  0  0  0  0  0  0  0  0 10
    2.8555    2.7516    1.0957 H   0  0  0  0  0  0  0  0  0 11
    4.1225    4.0588   -0.5974 H   0  0  0  0  0  0  0  0  0 12
    4.1814    2.6268   -1.6524 H   0  0  0  0  0  0  0  0  0 13
    5.0073    2.6054   -0.0760 H   0  0  0  0  0  0  0  0  0 14
    1.6054    4.0759   -0.5967 H   0  0  0  0  0  0  0  0  0 15
    0.7018    2.6331   -0.0781 H   0  0  0  0  0  0  0  0  0 16
    1.5294    2.6462   -1.6537 H   0  0  0  0  0  0  0  0  0 17
    0.7479    0.8050    0.0354 H   0  0  0  0  0  0  0  0  0 18
    5.0591    0.7202    0.0240 H   0  0  0  0  0  0  0  0  0 19
    0.7379   -1.7485    0.0115 H   0  0  0  0  0  0  0  0  0 20
    5.0479   -1.7011    0.0036 H   0  0  0  0  0  0  0  0  0 21
    3.8539   -3.7471   -0.0128 H   0  0  0  0  0  0  0  0  0 22
    2.3108   -3.7324   -0.8992 H   0  0  0  0  0  0  0  0  0 23
    2.3147   -3.7481    0.8804 H   0  0  0  0  0  0  0  0  0 24
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1 11  1  0  0  0
  2  5  2  0  0  0
  2  6  1  0  0  0
  3 12  1  0  0  0
  3 13  1  0  0  0
  3 14  1  0  0  0
  4 15  1  0  0  0
  4 16  1  0  0  0
  4 17  1  0  0  0
  5  8  1  0  0  0
  5 18  1  0  0  0
  6  9  2  0  0  0
  6 19  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  7 10  1  0  0  0
  8 20  1  0  0  0
  9 21  1  0  0  0
 10 22  1  0  0  0
 10 23  1  0  0  0
 10 24  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7463

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
86.2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwAAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGAAAAAAADQCAGAAyAIAAAACAAiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-isopropyl-4-methyl-benzene

> <PUBCHEM_IUPAC_CAS_NAME>
1-methyl-4-propan-2-ylbenzene

> <PUBCHEM_IUPAC_NAME>
1-methyl-4-propan-2-ylbenzene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-methyl-4-propan-2-yl-benzene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
p-cymene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
HFPZCAJZSCWRBC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
4.1

> <PUBCHEM_EXACT_MASS>
134.11

> <PUBCHEM_MOLECULAR_FORMULA>
C10H14

> <PUBCHEM_MOLECULAR_WEIGHT>
134.218

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)C(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)C(C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
134.11

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
2  5  8
2  6  8
5  8  8
6  9  8
7  8  8
7  9  8

$$$$