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1000342-89-1 | 4-Methoxy-1H-indazol-3(2H)-one
CAS No: 1000342-89-1 Catalog No: AG0000K1 MDL No:
Product Description
Catalog Number:
AG0000K1
Chemical Name:
4-Methoxy-1H-indazol-3(2H)-one
CAS Number:
1000342-89-1
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
IUPAC Name:
4-methoxy-1,2-dihydroindazol-3-one
InChI:
InChI=1S/C8H8N2O2/c1-12-6-4-2-3-5-7(6)8(11)10-9-5/h2-4H,1H3,(H2,9,10,11)
InChI Key:
BESHLNQIGLRLMG-UHFFFAOYSA-N
SMILES:
COc1cccc2c1c(=O)[nH][nH]2
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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