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1229-97-6 | 3H-Indazol-3-one, 1-[(3,4-dimethoxyphenyl)methyl]-1,2-dihydro-
CAS No: 1229-97-6 Catalog No: AG000JR8 MDL No:
Product Description
Catalog Number:
AG000JR8
Chemical Name:
3H-Indazol-3-one, 1-[(3,4-dimethoxyphenyl)methyl]-1,2-dihydro-
CAS Number:
1229-97-6
Molecular Formula:
C16H16N2O3
Molecular Weight:
284.3098
IUPAC Name:
1-[(3,4-dimethoxyphenyl)methyl]-2H-indazol-3-one
InChI:
InChI=1S/C16H16N2O3/c1-20-14-8-7-11(9-15(14)21-2)10-18-13-6-4-3-5-12(13)16(19)17-18/h3-9H,10H2,1-2H3,(H,17,19)
InChI Key:
XHCGLUVJQPPZOD-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)Cn1[nH]c(=O)c2c1cccc2
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.315g/mol
Monoisotopic Mass:
284.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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