AG003RJQ

2380-27-0 | Methyl 12-oxooctadecanoate

AG003RJQ

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CAS Number	2380-27-0
Catalog Number	AG003RJQ(AGN-PC-0JMPJR)
Chemical Name	Methyl 12-oxooctadecanoate
IUPAC Name	methyl 12-oxooctadecanoate
InChI	InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h3-17H2,1-2H3
InChI Key	XVSPEBNRFAFNAV-UHFFFAOYSA-N
MDL Number	MFCD00012224
Molecular Formula	C19H36O3
Molecular Weight	312.4873
SMILES	CCCCCCC(CCCCCCCCCCC(OC)=O)=O
Synonyms	Methyl 12-oxooctadecanoate, Methyl 12-ketostearate, 2380-27-0, Octadecanoic acid, 12-oxo-, methyl ester, Methyl 12-oxostearate, XVSPEBNRFAFNAV-UHFFFAOYSA-N, ACMC-20akjk, AC1L3AVU, 12-oxostearate methyl ester, SCHEMBL40101, Methyl 12-oxooctadecanoate #, CTK4F2308, DTXSID20178492, 12-Oxostearic acid, methyl ester, Methyl 12-oxooctadecanoate, 98%, ZINC4529418, 12-Oxo-octadecanoic Acid Methyl Ester, TRA0065964, Octadecanoic acid,12-oxo-, methyl ester, DB-046250, TC-166295, FT-0634231, C-49436, J-015217, CID137570,

Complexity	274
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	312.266g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	312.494g/mol
Monoisotopic Mass	312.266g/mol
Rotatable Bond Count	17
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313
UN Code

Certificate of Analysis

Lot Number