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113896-94-9 | 1H-Pyrrole-1-acetamide, 2,5-dihydro-2-oxo-4-(phenylmethoxy)-
CAS No: 113896-94-9 Catalog No: AG000A13 MDL No:
Product Description
Catalog Number:
AG000A13
Chemical Name:
1H-Pyrrole-1-acetamide, 2,5-dihydro-2-oxo-4-(phenylmethoxy)-
CAS Number:
113896-94-9
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
2-(5-oxo-3-phenylmethoxy-2H-pyrrol-1-yl)acetamide
InChI:
InChI=1S/C13H14N2O3/c14-12(16)8-15-7-11(6-13(15)17)18-9-10-4-2-1-3-5-10/h1-6H,7-9H2,(H2,14,16)
InChI Key:
CPMIVIBDTJGVDA-UHFFFAOYSA-N
SMILES:
NC(=O)CN1CC(=CC1=O)OCc1ccccc1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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