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114012-63-4 | 1H-Pyrrole-1-acetamide, 2,5-dihydro-4-hydroxy-2-oxo-
CAS No: 114012-63-4 Catalog No: AG000AA9 MDL No:
Product Description
Catalog Number:
AG000AA9
Chemical Name:
1H-Pyrrole-1-acetamide, 2,5-dihydro-4-hydroxy-2-oxo-
CAS Number:
114012-63-4
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
IUPAC Name:
2-(3-hydroxy-5-oxo-2H-pyrrol-1-yl)acetamide
InChI:
InChI=1S/C6H8N2O3/c7-5(10)3-8-2-4(9)1-6(8)11/h1,9H,2-3H2,(H2,7,10)
InChI Key:
IDNDJLWQSYFWCS-UHFFFAOYSA-N
SMILES:
NC(=O)CN1CC(=CC1=O)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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