AG003CE8

63163-08-6 | (S)-Dimethyl 2-methylsuccinate

AG003CE8

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CAS Number	63163-08-6
Catalog Number	AG003CE8(AGN-PC-0OE204)
Chemical Name	(S)-Dimethyl 2-methylsuccinate
IUPAC Name	dimethyl (2S)-2-methylbutanedioate
InChI	InChI=1S/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3/t5-/m0/s1
InChI Key	NFOQJNGQQXICBY-YFKPBYRVSA-N
MDL Number	MFCD00134572
Molecular Formula	C7H12O4
Molecular Weight	160.1678
SMILES	COC(=O)C[C@H](C)C(=O)OC
Synonyms	63163-08-6, (S)-Dimethyl 2-methylsuccinate, Dimethyl (S)-(-)-Methylsuccinate, (S)-(-)-Methylsuccinic Acid Dimethyl Ester, (S)-PYROTARTARIC ACID DIMETHYL ESTER, (S)-2-Methyl-succinic acid dimethyl ester, SCHEMBL1878449, CTK5B7871, NFOQJNGQQXICBY-YFKPBYRVSA-, Dimethyl (S)-(-)-Pyrotartarate, NFOQJNGQQXICBY-YFKPBYRVSA-N, ACT09948, dimethyl (2S)-2-methylbutanedioate, ZINC2039400, (S)-2-Methylsuccinic acid dimethyl, ANW-34567, MFCD00134572, AKOS006345705, AKOS015840169, (S)-methylsuccinic acid dimethyl ester, (S)-2-methylsuccinic acid dimethyl ester, AJ-33170, AN-38998, AS-38246, CJ-07586, CJ-32246, (S)-(-)-Pyrotartaric Acid Dimethyl Ester, AX8048150, DB-052534, TR-021754, FT-0693235, M1232, 163M086, Butanedioic acid,2-methyl-, 1,4-dimethyl ester, (2S)-, InChI=1/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3/t5-/m0/s1, - -Methylsuccinicaciddimethylester, CID9964174, Butanedioic acid, methyl-, dimethyl ester, 54314-84-0,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	160.074g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.169g/mol
Monoisotopic Mass	160.074g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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