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115794-30-4 | 1,2-Cyclopentanedicarboxylic acid, 4-oxo-, 1,2-dimethyl ester, (1S,2S)-
CAS No: 115794-30-4 Catalog No: AG000GVB MDL No:
Product Description
Catalog Number:
AG000GVB
Chemical Name:
1,2-Cyclopentanedicarboxylic acid, 4-oxo-, 1,2-dimethyl ester, (1S,2S)-
CAS Number:
115794-30-4
Molecular Formula:
C9H12O5
Molecular Weight:
200.1886
IUPAC Name:
dimethyl (1S,2S)-4-oxocyclopentane-1,2-dicarboxylate
InChI:
InChI=1S/C9H12O5/c1-13-8(11)6-3-5(10)4-7(6)9(12)14-2/h6-7H,3-4H2,1-2H3/t6-,7-/m0/s1
InChI Key:
GMKJWKXCHOWVDN-BQBZGAKWSA-N
SMILES:
COC(=O)[C@H]1CC(=O)C[C@@H]1C(=O)OC
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
200.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.19g/mol
Monoisotopic Mass:
200.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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