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15763-55-0 | 3H-Pyrazol-3-one, 1,2-dihydro-4-methyl-1-phenyl-
CAS No: 15763-55-0 Catalog No: AG001PKI MDL No:MFCD00462215
Product Description
Catalog Number:
AG001PKI
Chemical Name:
3H-Pyrazol-3-one, 1,2-dihydro-4-methyl-1-phenyl-
CAS Number:
15763-55-0
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD00462215
IUPAC Name:
4-methyl-2-phenyl-1H-pyrazol-5-one
InChI:
InChI=1S/C10H10N2O/c1-8-7-12(11-10(8)13)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,13)
InChI Key:
YLCVRUDEIAVXJJ-UHFFFAOYSA-N
SMILES:
O=c1[nH]n(cc1C)c1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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