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24630-93-1 | 3H-Pyrazol-3-one, 5-amino-2,4-dihydro-2-(4-methoxyphenyl)-
CAS No: 24630-93-1 Catalog No: AG002OW1 MDL No:
Product Description
Catalog Number:
AG002OW1
Chemical Name:
3H-Pyrazol-3-one, 5-amino-2,4-dihydro-2-(4-methoxyphenyl)-
CAS Number:
24630-93-1
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
IUPAC Name:
5-amino-2-(4-methoxyphenyl)-4H-pyrazol-3-one
InChI:
InChI=1S/C10H11N3O2/c1-15-8-4-2-7(3-5-8)13-10(14)6-9(11)12-13/h2-5H,6H2,1H3,(H2,11,12)
InChI Key:
JOSOROFXSKQGSW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1N=C(CC1=O)N
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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