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7518-82-3 | 5-OXO-PROLINE 2-HYDROXYETHYL ESTER
CAS No: 7518-82-3 Catalog No: AG005DSF MDL No:
Product Description
Catalog Number:
AG005DSF
Chemical Name:
5-OXO-PROLINE 2-HYDROXYETHYL ESTER
CAS Number:
7518-82-3
Molecular Formula:
C7H11NO4
Molecular Weight:
173.1665
IUPAC Name:
2-hydroxyethyl (2S)-5-oxopyrrolidine-2-carboxylate
InChI:
InChI=1S/C7H11NO4/c9-3-4-12-7(11)5-1-2-6(10)8-5/h5,9H,1-4H2,(H,8,10)/t5-/m0/s1
InChI Key:
QOUCIKNDMWJHHB-YFKPBYRVSA-N
SMILES:
OCCOC(=O)[C@@H]1CCC(=O)N1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
173.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.168g/mol
Monoisotopic Mass:
173.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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