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89267-01-6 | 2,4-Pyrrolidinedicarboxylic acid, 5-oxo-
CAS No: 89267-01-6 Catalog No: AG0041TA MDL No:
Product Description
Catalog Number:
AG0041TA
Chemical Name:
2,4-Pyrrolidinedicarboxylic acid, 5-oxo-
CAS Number:
89267-01-6
Molecular Formula:
C6H7NO5
Molecular Weight:
173.1235
IUPAC Name:
5-oxopyrrolidine-2,4-dicarboxylic acid
InChI:
InChI=1S/C6H7NO5/c8-4-2(5(9)10)1-3(7-4)6(11)12/h2-3H,1H2,(H,7,8)(H,9,10)(H,11,12)
InChI Key:
UHYIKGNMSIQZHJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1NC(=O)C(C1)C(=O)O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.032g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
173.124g/mol
Monoisotopic Mass:
173.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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