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Home > Nitro Compounds > 1273655-86-9
1273655-86-9 | 1H-Inden-1-one, 2,3-dihydro-5-Methoxy-4-nitro-
CAS No: 1273655-86-9 Catalog No: AG000WYX MDL No:
Product Description
Catalog Number:
AG000WYX
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-5-Methoxy-4-nitro-
CAS Number:
1273655-86-9
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
IUPAC Name:
5-methoxy-4-nitro-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H9NO4/c1-15-9-5-3-6-7(2-4-8(6)12)10(9)11(13)14/h3,5H,2,4H2,1H3
InChI Key:
AHVKTWTVGFXSON-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1[N+](=O)[O-])CCC2=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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