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29458-30-8 | 3H-Pyrazol-3-one, 2-(4-aminophenyl)-2,4-dihydro-4,5-dimethyl-
CAS No: 29458-30-8 Catalog No: AG002YEV MDL No:
Product Description
Catalog Number:
AG002YEV
Chemical Name:
3H-Pyrazol-3-one, 2-(4-aminophenyl)-2,4-dihydro-4,5-dimethyl-
CAS Number:
29458-30-8
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
IUPAC Name:
2-(4-aminophenyl)-4,5-dimethyl-4H-pyrazol-3-one
InChI:
InChI=1S/C11H13N3O/c1-7-8(2)13-14(11(7)15)10-5-3-9(12)4-6-10/h3-7H,12H2,1-2H3
InChI Key:
UOCOWPDBMOCDPI-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)N1N=C(C(C1=O)C)C
EC Number:
249-645-1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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