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100922-97-2 | 1H-Indazol-3-ol, 1-methyl-
CAS No: 100922-97-2 Catalog No: AG00037I MDL No:
Product Description
Catalog Number:
AG00037I
Chemical Name:
1H-Indazol-3-ol, 1-methyl-
CAS Number:
100922-97-2
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
IUPAC Name:
1-methyl-2H-indazol-3-one
InChI:
InChI=1S/C8H8N2O/c1-10-7-5-3-2-4-6(7)8(11)9-10/h2-5H,1H3,(H,9,11)
InChI Key:
ONNIFDMRZCMQQM-UHFFFAOYSA-N
SMILES:
Cn1nc(c2c1cccc2)O
NSC Number:
512755
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.165g/mol
Monoisotopic Mass:
148.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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