AG001C0R

14010-23-2 | Heptadecanoic acid, ethyl ester

AG001C0R

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CAS Number	14010-23-2
Catalog Number	AG001C0R(AGN-PC-0JKISG)
Chemical Name	Heptadecanoic acid, ethyl ester
EC Number	237-822-6
IUPAC Name	ethyl heptadecanoate
InChI	InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-4-2/h3-18H2,1-2H3
InChI Key	KNXMUFRWYNVISA-UHFFFAOYSA-N
MDL Number	MFCD00026658
Molecular Formula	C19H37O2
Molecular Weight	297.4959
NSC Number	137831
SMILES	CCCCCCCCCCCCCCCC(CC)C([O-])=O
Synonyms	Ethyl heptadecanoate, 14010-23-2, ETHYL MARGARATE, Heptadecanoic acid, ethyl ester, Ethyl n-heptadecanoate, Heptadecanoic Acid Ethyl Ester, Margaric Acid Ethyl Ester, EINECS 237-822-6, MFCD00026658, ACMC-209ck3, AC1L1B1X, Heptadecanoic acid,ethyl ester, SCHEMBL346642, AC1Q2W30, n-Heptadecanoic acid ethyl ester, CTK4C2069, Ethyl heptadecanoate, AldrichCPR, DTXSID10161232, KNXMUFRWYNVISA-UHFFFAOYSA-N, ANW-20545, NSC137831, ZINC70454038, AKOS015839865, NSC-137831, VZ32201, CC-28145, DB-042506, TR-005226, FT-0636996, A807621, C-18684, J-007354, I14-61050, Ethylheptadecanoate, CID26397, heptadecanoic acid ethyl ester grade I, C19-H38-O2, H0526,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	298.287g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	298.511g/mol
Monoisotopic Mass	298.287g/mol
Rotatable Bond Count	17
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	8.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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