AG001YMS

1731-92-6 | Heptadecanoic acid, methyl ester

AG001YMS

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CAS Number	1731-92-6
Catalog Number	AG001YMS(AGN-PC-0JKCE6)
Chemical Name	Heptadecanoic acid, methyl ester
EC Number	217-055-3
IUPAC Name	methyl heptadecanoate
InChI	InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3
InChI Key	HUEBIMLTDXKIPR-UHFFFAOYSA-N
MDL Number	MFCD00009001
Molecular Formula	C18H36O2
Molecular Weight	284.4772
NSC Number	97364
SMILES	CCCCCCCCCCCCCCCCC(OC)=O
UNII	41PZK7H0KL
Synonyms	METHYL HEPTADECANOATE, 1731-92-6, Methyl margarate, Heptadecanoic acid, methyl ester, Margaric acid methyl ester, Heptadecanoic acid methyl ester, UNII-41PZK7H0KL, 41PZK7H0KL, n-Heptadecanoic acid methyl ester, Heptadecanoic Acid Methyl Ester,(S), MFCD00009001, methylheptadecanoate, EINECS 217-055-3, formyl heptadecanoate, NSC 97364, AI3-36453, Heptadecanoic acid methyl, AC1Q2W2Y, Methyl heptadecanoate, 95%, Methyl heptadecanoate, 99%, SCHEMBL346760, ACMC-209e61, Heptadecanoic acid,methyl ester, Heptadecanoic acid-methyl ester, Methyl heptadecanoate, >=99%, DTXSID3061924, CTK4D4538, CDAA-251017M, CHEBI:136920, HUEBIMLTDXKIPR-UHFFFAOYSA-N, AC1L2693, ALBB-025070, KS-000014CX, NSC97364, ZX-AN023584, ANW-22631, LMFA07010473, NSC-97364, ZINC62238196, AKOS015903907, ACM1731926, CS-W004290, MCULE-4465312774, AS-49344, Methyl heptadecanoate, analytical standard, TR-007643, FT-0726048, ST45021342, V0317, Methyl heptadecanoate, purum, >=95.0% (GC), WE(1:0/17:0), B6629AC7-DDCA-4BCF-AFB1-744D9D2EE8F5, I14-18431, Heptadecanoic acid-methyl ester 10 microg/mL in Cyclohexane, Methyl heptadecanoate, certified reference material, TraceCERT(R), Not Available, C18H36O2, CID15609, ACN-035607, C18-H36-O2, WE(18:0), H0566,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	284.272g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	284.484g/mol
Monoisotopic Mass	284.272g/mol
Rotatable Bond Count	16
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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