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77191-37-8 | 2-(4-Hydroxy-2-oxopyrrolidin-1-yl)acetic acid
CAS No: 77191-37-8 Catalog No: AG005DD1 MDL No:
Product Description
Catalog Number:
AG005DD1
Chemical Name:
2-(4-Hydroxy-2-oxopyrrolidin-1-yl)acetic acid
CAS Number:
77191-37-8
Molecular Formula:
C6H9NO4
Molecular Weight:
159.1400
IUPAC Name:
2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid
InChI:
InChI=1S/C6H9NO4/c8-4-1-5(9)7(2-4)3-6(10)11/h4,8H,1-3H2,(H,10,11)
InChI Key:
BMOXYLBGPIDAAN-UHFFFAOYSA-N
SMILES:
OC1CC(=O)N(C1)CC(=O)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.141g/mol
Monoisotopic Mass:
159.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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