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14776-41-1 | 3-Pyrazolidinone, 4-methyl-2-phenyl-
CAS No: 14776-41-1 Catalog No: AG001F70 MDL No:
Product Description
Catalog Number:
AG001F70
Chemical Name:
3-Pyrazolidinone, 4-methyl-2-phenyl-
CAS Number:
14776-41-1
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
IUPAC Name:
4-methyl-2-phenylpyrazolidin-3-one
InChI:
InChI=1S/C10H12N2O/c1-8-7-11-12(10(8)13)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3
InChI Key:
LBZPFGXJKJZTRS-UHFFFAOYSA-N
SMILES:
CC1CNN(C1=O)c1ccccc1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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