AG003S5S

818-88-2 | Sebacic acid monomethyl ester

AG003S5S

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CAS Number	818-88-2
Catalog Number	AG003S5S(AGN-PC-0LW37T)
Chemical Name	Sebacic acid monomethyl ester
EC Number	212-458-0
IUPAC Name	10-methoxy-10-oxodecanoic acid
InChI	InChI=1S/C11H20O4/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h2-9H2,1H3,(H,12,13)
InChI Key	OSYQOBUUFRGFNG-UHFFFAOYSA-N
MDL Number	MFCD00004439
Molecular Formula	C11H20O4
Molecular Weight	216.2741
SMILES	O=C(OC)CCCCCCCCC(O)=O
UNII	8PZ9NUI78J
Synonyms	Sebacic acid monomethyl ester, 10-Methoxy-10-oxodecanoic acid, 818-88-2, Monomethyl Sebacate, Methyl hydrogen sebacate, Mono-methyl sebacate, UNII-8PZ9NUI78J, 8PZ9NUI78J, OSYQOBUUFRGFNG-UHFFFAOYSA-N, W-104195, EINECS 212-458-0, AI3-11759, Decanedioic acid 1-methyl, AC1L2D1Q, AC1Q5W7G, SCHEMBL21999, Decanoic acid, monomethyl ester, MEGxp0_000858, 9-(methoxycarbonyl)nonanoic acid, ACon1_002146, CTK8D6744, decandioic acid mono methyl ester, Decanedioic Acid Monomethyl Ester, Decanedioic acid, 1-methyl ester, ZINC1845667, 10-Methoxy-10-oxodecanoic acid #, BBL000065, MFCD00004439, STK378739, AKOS005448727, MCULE-8938642997, NCGC00179784-01, CC-34389, SY051601, FT-0628331, S0395, ST50410634, T6982, MFCD00004439 (97%), C-33832, 10-ethoxy-10-oxodecanoic acid, Decanedioic acid, monomethyl ester, CID69957, AR-1C0238, C11-H20-O4, 86547-19-5, 1-Phenanthrenecarboxylic acid, 6,8-dichloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methyl-2-oxoethyl)-3-oxo-, methyl ester, (1R-(1alpha,4abeta,10aalpha))-,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.136g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.277g/mol
Monoisotopic Mass	216.136g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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