Hexatrienoic Acid Details

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Physical and Chemical properties

PUBCHEM ID	1549237
CAS Registry Number	0.0
Aroma Threshold	0.0
Molecular Weight (g/mol)	111.119
Molecular Formula	C6H7O2-
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
IUPAC Name	(2E,4E)-hexa-2,4-dienoate
Canonical SMILES	C/C=C/C=C/C(=O)[O-]
PUBCHEM IUPAC INCHIKEY	WSWCOQWTEOXDQX-MQQKCMAXSA-M
Solubility Level	4
Vapour Pressure	0.073

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA	40.1
BBB Level	3
Absorption Level	1
EXT PPB#Prediction	0
AlogP98	-0.111
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Multi-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Multi-Carcinogen
Rat Male FDA	Multi-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Toxic
Rat Oral LD50	1.18099 g/kg_body_weight
Ocular Irritancy	Mild
Hepatotoxic#Prediction	0
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction

Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	Mild
Environmental hazards	not classified

About Table Headings

Compound Biological Activity

Serial No.	Activity Name	Details	References (PubMed)	Other details EPA (U.S)	Clinical Trials (U.S. NIH)
1					Hexatrienoic Acid

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil	Compound Percentage
1	Periwinkle, Sadabahar, Sadafuli	Dhawal	Catharanthus roseus dhawal essential oil
2	Periwinkle, Sadabahar, Sadafuli	Nirmal	Catharanthus roseus nirmal essential oil