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1136-11-4 | Methanone, (3,5-dimethyl-1H-pyrazol-4-yl)phenyl-
CAS No: 1136-11-4 Catalog No: AG00093P MDL No:
Product Description
Catalog Number:
AG00093P
Chemical Name:
Methanone, (3,5-dimethyl-1H-pyrazol-4-yl)phenyl-
CAS Number:
1136-11-4
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
IUPAC Name:
(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanone
InChI:
InChI=1S/C12H12N2O/c1-8-11(9(2)14-13-8)12(15)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14)
InChI Key:
ABKBFOUSVKQOJR-UHFFFAOYSA-N
SMILES:
Cc1[nH]nc(c1C(=O)c1ccccc1)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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