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86475-37-8 | 3-Pyrazolidinone,2-acetyl-4,4-dimethyl-1-phenyl-
CAS No: 86475-37-8 Catalog No: AG004MQB MDL No:
Product Description
Catalog Number:
AG004MQB
Chemical Name:
3-Pyrazolidinone,2-acetyl-4,4-dimethyl-1-phenyl-
CAS Number:
86475-37-8
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
2-acetyl-4,4-dimethyl-1-phenylpyrazolidin-3-one
InChI:
InChI=1S/C13H16N2O2/c1-10(16)15-12(17)13(2,3)9-14(15)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
InChI Key:
XWKAZXKJYHZGAI-UHFFFAOYSA-N
SMILES:
CC(=O)N1N(CC(C1=O)(C)C)c1ccccc1
EC Number:
289-240-7
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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