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1703-61-3 | 4-Oxocyclopentane-1,2-Dicarboxylic Acid
CAS No: 1703-61-3 Catalog No: AG00344N MDL No:MFCD09701962
Product Description
Catalog Number:
AG00344N
Chemical Name:
4-Oxocyclopentane-1,2-Dicarboxylic Acid
CAS Number:
1703-61-3
Molecular Formula:
C7H8O5
Molecular Weight:
172.1354
MDL Number:
MFCD09701962
IUPAC Name:
4-oxocyclopentane-1,2-dicarboxylic acid
InChI:
InChI=1S/C7H8O5/c8-3-1-4(6(9)10)5(2-3)7(11)12/h4-5H,1-2H2,(H,9,10)(H,11,12)
InChI Key:
CJSMOECOKYPHSC-UHFFFAOYSA-N
SMILES:
O=C1CC(C(C1)C(=O)O)C(=O)O
EC Number:
605-579-9
NSC Number:
146529
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.037g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.136g/mol
Monoisotopic Mass:
172.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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