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114306-97-7 | 3H-Pyrazol-3-one, 1-(4-aminophenyl)-1,2-dihydro-5-methyl-
CAS No: 114306-97-7 Catalog No: AG000B1C MDL No:MFCD00020702
Product Description
Catalog Number:
AG000B1C
Chemical Name:
3H-Pyrazol-3-one, 1-(4-aminophenyl)-1,2-dihydro-5-methyl-
CAS Number:
114306-97-7
Molecular Formula:
C10H11N3O
Molecular Weight:
189.2138
MDL Number:
MFCD00020702
IUPAC Name:
2-(4-aminophenyl)-3-methyl-1H-pyrazol-5-one
InChI:
InChI=1S/C10H11N3O/c1-7-6-10(14)12-13(7)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,14)
InChI Key:
NKCTXWJKFFORDT-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)[nH]n1c1ccc(cc1)N
NSC Number:
157398
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.218g/mol
Monoisotopic Mass:
189.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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