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199987-17-2 | 1H-Inden-1-one, 3-amino-5-methoxy-2-(4-methoxyphenyl)-
CAS No: 199987-17-2 Catalog No: AG002CHS MDL No:
Product Description
Catalog Number:
AG002CHS
Chemical Name:
1H-Inden-1-one, 3-amino-5-methoxy-2-(4-methoxyphenyl)-
CAS Number:
199987-17-2
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
3-amino-5-methoxy-2-(4-methoxyphenyl)inden-1-one
InChI:
InChI=1S/C17H15NO3/c1-20-11-5-3-10(4-6-11)15-16(18)14-9-12(21-2)7-8-13(14)17(15)19/h3-9H,18H2,1-2H3
InChI Key:
SSXNAVNUUDFWTL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=C(N)c2c(C1=O)ccc(c2)OC
NSC Number:
685853
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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