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164582-90-5 | 3H-Indazol-3-one, 1,2-dihydro-5,6-dimethoxy-
CAS No: 164582-90-5 Catalog No: AG001UY9 MDL No:MFCD16038758
Product Description
Catalog Number:
AG001UY9
Chemical Name:
3H-Indazol-3-one, 1,2-dihydro-5,6-dimethoxy-
CAS Number:
164582-90-5
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
MDL Number:
MFCD16038758
IUPAC Name:
5,6-dimethoxy-1,2-dihydroindazol-3-one
InChI:
InChI=1S/C9H10N2O3/c1-13-7-3-5-6(4-8(7)14-2)10-11-9(5)12/h3-4H,1-2H3,(H2,10,11,12)
InChI Key:
HCPSAODYJBBHSZ-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)[nH][nH]c2=O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.19g/mol
Monoisotopic Mass:
194.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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