AG003U6R

65405-77-8 | CIS-3-HEXENYL SALICYLATE

AG003U6R

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CAS Number	65405-77-8
Catalog Number	AG003U6R(AGN-PC-0OF8I4)
Chemical Name	CIS-3-HEXENYL SALICYLATE
EC Number	265-745-8
FEMA Number	4750
IUPAC Name	[(Z)-hex-3-enyl] 2-hydroxybenzoate
InChI	InChI=1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3/b4-3-
InChI Key	IEPWIPZLLIOZLU-ARJAWSKDSA-N
MDL Number	MFCD00036486
Molecular Formula	C13H16O3
Molecular Weight	220.2643
SMILES	OC1=C(C(=O)OCC\C=C/CC)C=CC=C1
Synonyms	3-hexenyl salicylate, 3-hexenyl salicylate, (E)-isomer, cis-3-hexenyl salicylate, cis-3-Hexenyl salicylate, 65405-77-8, (Z)-3-Hexenyl salicylate, (Z)-Hex-3-en-1-yl 2-hydroxybenzoate, CHEBI:88833, IEPWIPZLLIOZLU-ARJAWSKDSA-N, (3Z)-Hex-3-en-1-yl salicylate, W-111260, Benzoic acid, 2-hydroxy-, 3-hexenyl ester, (Z)-, [(E)-hex-3-enyl] 2-hydroxybenzoate, Salicylic Acid cis-3-Hexen-1-yl Ester, AC1NSVY5, Cis 3 Hexenyl Salicylate, (z)-3 hexenyl salicylate, DSSTox_CID_17750, DSSTox_RID_79374, (3Z)-3-Hexenyl salicylate, DSSTox_GSID_37750, cis-3-Hexenyl salicylic acid, SCHEMBL111557, CHEMBL1897308, DTXSID8037750, IEPWIPZLLIOZLU-ARJAWSKDSA-, cis-3-Hexenyl salicylate, >=97%, ZINC4474602, Tox21_301692, MFCD00036486, cis-3-HEXENYL SALICYLATE EXTRA, [(Z)-hex-3-enyl] 2-hydroxybenzoate, AKOS027320532, .beta.,.gamma.-cis-Hexenyl salicylate, SID26757650, (3Z)-hex-3-en-1-yl 2-hydroxybenzoate, NCGC00164233-01, NCGC00255403-01, Salicylic acid, 3-hexenyl ester, (Z)-, AS-19247, CJ-12052, CAS-65405-77-8, X5953, Benzoic acid, 2-hydroxy-,(3Z)-3-hexenyl ester, I01-7887, InChI=1/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3/b4-3-, 3-Hexenyl salicylate, Cis-3-hexenyl salisylate, UNII-C78Y9OR6YH, cis-3-HEXENYLSALICYLATE, (Z) - 3 - hexenyl salicylate, beta,gamma-cis-Hexenyl salicylate, C13H16O3, EINECS 265-745-8, Salicylic acid, 3-hexen-1-yl ester, C13-H16-O3, CID5371102, EC 265-745-8, Benzoic acid, 2-hydroxy-, (3Z)-3-hexenyl ester,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	220.11g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	220.268g/mol
Monoisotopic Mass	220.11g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number