AG002UPN

2777-58-4 | 6-Octadecenoic acid,methyl ester, (6Z)-

AG002UPN

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CAS Number	2777-58-4
Catalog Number	AG002UPN(AGN-PC-0O8J0E)
Chemical Name	6-Octadecenoic acid,methyl ester, (6Z)-
EC Number	220-470-2
IUPAC Name	methyl (Z)-octadec-6-enoate
InChI	InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h13-14H,3-12,15-18H2,1-2H3/b14-13-
InChI Key	QRTVDKVXAFJVRU-YPKPFQOOSA-N
MDL Number	MFCD00056193
Molecular Formula	C19H36O2
Molecular Weight	296.4879
SMILES	CCCCCCCCCCC/C=C\\CCCCC(=O)OC
UNII	774W29LWKQ
Synonyms	Methyl petroselinate, Petroselinic acid methyl ester, Methyl cis-6-octadecenoate, UNII-774W29LWKQ, 2777-58-4, Methyl (Z)-octadec-6-enoate, 774W29LWKQ, MFCD00056193, EINECS 220-470-2, AC1NSGBM, 6-Octadecenoic acid, methyl ester, (Z)-, Methyl (Z)-6-octadecenoate, SCHEMBL17137615, Methyl (6Z)-6-octadecenoate #, QRTVDKVXAFJVRU-YPKPFQOOSA-N, ZINC86020533, cis-6-Octadecenoic Acid Methyl Ester, cis-6-Octadecenoic acid, methyl ester, DB-047275, M2306, (Z)-6-OCTADECENOIC ACID METHYL ESTER, PETROSELINICACIDMETHYLESTER, 6-Octadecenoic acid, methyl ester, C19-H36-O2, CID5362717,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	296.272g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	296.495g/mol
Monoisotopic Mass	296.272g/mol
Rotatable Bond Count	16
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3(6.1)
Hazard statements	H225-H304-H315-H336-H410-H227
Packing Group	Ⅱ
Precautionary statements	P210-P261-P273-P301+P310-P331-P501-P280-P370+P378-P403+P235
UN Code	UN 1992

Certificate of Analysis

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