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1461-96-7 | 1,2-Cyclopentanedicarboxylic acid, (1R,2S)-rel-
CAS No: 1461-96-7 Catalog No: AG001DPL MDL No:MFCD01311172
Product Description
Catalog Number:
AG001DPL
Chemical Name:
1,2-Cyclopentanedicarboxylic acid, (1R,2S)-rel-
CAS Number:
1461-96-7
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
MDL Number:
MFCD01311172
IUPAC Name:
(1R,2S)-cyclopentane-1,2-dicarboxylic acid
InChI:
InChI=1S/C7H10O4/c8-6(9)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5+
InChI Key:
ASJCSAKCMTWGAH-SYDPRGILSA-N
SMILES:
OC(=O)[C@@H]1CCC[C@@H]1C(=O)O
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
158.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.153g/mol
Monoisotopic Mass:
158.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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