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2996-58-9

2996-58-9 | 4-Methyl-2-pyrrolidinone

CAS No: 2996-58-9 Catalog No: AG0038U3 MDL No:MFCD00128875

Product Description

Catalog Number:
AG0038U3
Chemical Name:
4-Methyl-2-pyrrolidinone
CAS Number:
2996-58-9
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
MDL Number:
MFCD00128875
IUPAC Name:
4-methylpyrrolidin-2-one
InChI:
InChI=1S/C5H9NO/c1-4-2-5(7)6-3-4/h4H,2-3H2,1H3,(H,6,7)
InChI Key:
YRKRGYRYEQYTOH-UHFFFAOYSA-N
SMILES:
CC1CC(=O)NC1

Properties

Complexity:
90.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.068g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
99.133g/mol
Monoisotopic Mass:
99.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0

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