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13950-21-5 | 2H-Pyrrol-2-one, 1,5-dihydro-1-methyl-
CAS No: 13950-21-5 Catalog No: AG001B5O MDL No:MFCD12923467
Product Description
Catalog Number:
AG001B5O
Chemical Name:
2H-Pyrrol-2-one, 1,5-dihydro-1-methyl-
CAS Number:
13950-21-5
Molecular Formula:
C5H7NO
Molecular Weight:
97.1152
MDL Number:
MFCD12923467
IUPAC Name:
1-methyl-2H-pyrrol-5-one
InChI:
InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-3H,4H2,1H3
InChI Key:
VHGGRTWHRJRQKU-UHFFFAOYSA-N
SMILES:
O=C1C=CCN1C
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.053g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
97.117g/mol
Monoisotopic Mass:
97.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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