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71753-55-4 | 1H-Pyrrole-1-propanamide, 2,5-dihydro-2,5-dioxo-
CAS No: 71753-55-4 Catalog No: AG005FM1 MDL No:
Product Description
Catalog Number:
AG005FM1
Chemical Name:
1H-Pyrrole-1-propanamide, 2,5-dihydro-2,5-dioxo-
CAS Number:
71753-55-4
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
IUPAC Name:
3-(2,5-dioxopyrrol-1-yl)propanamide
InChI:
InChI=1S/C7H8N2O3/c8-5(10)3-4-9-6(11)1-2-7(9)12/h1-2H,3-4H2,(H2,8,10)
InChI Key:
QLMKIWQIZQHVHO-UHFFFAOYSA-N
SMILES:
NC(=O)CCN1C(=O)C=CC1=O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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