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100833-61-2 | Butanedioic acid, 2-(acetyloxy)-2-methyl-, dimethyl ester, (S)- (9CI)
CAS No: 100833-61-2 Catalog No: AG0002Z1 MDL No:
Product Description
Catalog Number:
AG0002Z1
Chemical Name:
Butanedioic acid, 2-(acetyloxy)-2-methyl-, dimethyl ester, (S)- (9CI)
CAS Number:
100833-61-2
Molecular Formula:
C9H14O6
Molecular Weight:
218.2039
IUPAC Name:
dimethyl 2-acetyloxy-2-methylbutanedioate
InChI:
InChI=1S/C9H14O6/c1-6(10)15-9(2,8(12)14-4)5-7(11)13-3/h5H2,1-4H3
InChI Key:
VOMHJCSZIYCRDH-UHFFFAOYSA-N
SMILES:
COC(=O)C[C@@](C(=O)OC)(OC(=O)C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.205g/mol
Monoisotopic Mass:
218.079g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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