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178106-34-8 | Propanoic acid, 3-hydroxy-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 178106-34-8 Catalog No: AG0025RO MDL No:
Product Description
Catalog Number:
AG0025RO
Chemical Name:
Propanoic acid, 3-hydroxy-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
178106-34-8
Molecular Formula:
C7H9NO5
Molecular Weight:
187.1501
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-hydroxypropanoate
InChI:
InChI=1S/C7H9NO5/c9-4-3-7(12)13-8-5(10)1-2-6(8)11/h9H,1-4H2
InChI Key:
OQNCXASDINIDFX-UHFFFAOYSA-N
SMILES:
OCCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.151g/mol
Monoisotopic Mass:
187.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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