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Home > Nitro Compounds > 157989-07-6
157989-07-6 | 1H-Inden-1-one, 2,3-dihydro-4-methoxy-7-nitro-
CAS No: 157989-07-6 Catalog No: AG001PVZ MDL No:
Product Description
Catalog Number:
AG001PVZ
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-4-methoxy-7-nitro-
CAS Number:
157989-07-6
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
IUPAC Name:
4-methoxy-7-nitro-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H9NO4/c1-15-9-5-3-7(11(13)14)10-6(9)2-4-8(10)12/h3,5H,2,4H2,1H3
InChI Key:
JGCODHRXFWCIBL-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1CCC2=O)[N+](=O)[O-]
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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