AG0034A4

2396-80-7 | 5-Hexenoic acid methyl ester

AG0034A4

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CAS Number	2396-80-7
Catalog Number	AG0034A4(AGN-PC-0JS99J)
Chemical Name	5-Hexenoic acid methyl ester
EC Number	607-297-1
IUPAC Name	methyl hex-5-enoate
InChI	InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h3H,1,4-6H2,2H3
InChI Key	ASKDFGVMJZMYEM-UHFFFAOYSA-N
MDL Number	MFCD01757393
Molecular Formula	C7H12O2
Molecular Weight	128.1690
SMILES	C(CCCC=C)(=O)OC
Synonyms	Methyl 5-hexenoate, methyl hex-5-enoate, 2396-80-7, 5-Hexenoic Acid Methyl Ester, 5-Hexenoic acid, methyl ester, ASKDFGVMJZMYEM-UHFFFAOYSA-N, Methyl-5-hexenoate, Methyl5-hexenoate, AC1LATNW, ACMC-209g7f, 5-Hexenoic acid, methylester, SCHEMBL514869, Hex-5-enoic acid methyl ester, CTK4F2669, Methyl ester of 5-hexenoic acid, KS-000016LO, ZINC2567301, ANW-25273, MFCD00671538, AKOS025294972, Methyl 5-hexenoate, >=95.0% (GC), TC-114018, CS-0015919, FT-0722870, J-015295, I14-60983, InChI=1/C7H12O2/c1-3-4-5-6-7(8)9-2/h3H,1,4-6H2,2H, CID520082, ACN-054186, H0872,

Complexity	97.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.084g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	128.171g/mol
Monoisotopic Mass	128.084g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H302
Packing Group	Ⅲ
Precautionary statements	P305+P351+P338
UN Code	UN 3272

Certificate of Analysis

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