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Home > Nitro Compounds > 196597-96-3
196597-96-3 | 6-Methoxy-7-nitro-2,3-dihydro-1H-inden-1-one
CAS No: 196597-96-3 Catalog No: AG003N9P MDL No:
Product Description
Catalog Number:
AG003N9P
Chemical Name:
6-Methoxy-7-nitro-2,3-dihydro-1H-inden-1-one
CAS Number:
196597-96-3
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
IUPAC Name:
6-methoxy-7-nitro-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H9NO4/c1-15-8-5-3-6-2-4-7(12)9(6)10(8)11(13)14/h3,5H,2,4H2,1H3
InChI Key:
VJEWECISSPCJAV-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1[N+](=O)[O-])C(=O)CC2
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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