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1154740-87-0 | 1H-Inden-1-one, 7-amino-2,3-dihydro-6-methoxy-
CAS No: 1154740-87-0 Catalog No: AG000G0T MDL No:MFCD20462307
Product Description
Catalog Number:
AG000G0T
Chemical Name:
1H-Inden-1-one, 7-amino-2,3-dihydro-6-methoxy-
CAS Number:
1154740-87-0
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD20462307
IUPAC Name:
7-amino-6-methoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H11NO2/c1-13-8-5-3-6-2-4-7(12)9(6)10(8)11/h3,5H,2,4,11H2,1H3
InChI Key:
NBPAGRDSNBNJDH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1N)C(=O)CC2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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