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10013-09-9 | 3H-Pyrazol-3-one, 1,2-dihydro-4-(hydroxymethyl)-1,5-dimethyl-2-phenyl-
CAS No: 10013-09-9 Catalog No: AG00011P MDL No:
Product Description
Catalog Number:
AG00011P
Chemical Name:
3H-Pyrazol-3-one, 1,2-dihydro-4-(hydroxymethyl)-1,5-dimethyl-2-phenyl-
CAS Number:
10013-09-9
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
4-(hydroxymethyl)-1,5-dimethyl-2-phenylpyrazol-3-one
InChI:
InChI=1S/C12H14N2O2/c1-9-11(8-15)12(16)14(13(9)2)10-6-4-3-5-7-10/h3-7,15H,8H2,1-2H3
InChI Key:
TXBZBZWNYXZIDQ-UHFFFAOYSA-N
SMILES:
OCc1c(C)n(n(c1=O)c1ccccc1)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Impact of amphotericin B on the cytochrome P450 system in HIV-infected patients. | European journal of medical research 20040227 |
| Antipyrine clearance and metabolite formation in primary biliary cirrhosis. | Digestive diseases and sciences 20010201 |
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