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Home > Nitro Compounds > 66773-14-6
66773-14-6 | 1H-Inden-1-one, 2,3-dihydro-5-methyl-4-nitro-
CAS No: 66773-14-6 Catalog No: AG00H6DR MDL No:
Product Description
Catalog Number:
AG00H6DR
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-5-methyl-4-nitro-
CAS Number:
66773-14-6
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
IUPAC Name:
5-methyl-4-nitro-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H9NO3/c1-6-2-3-7-8(4-5-9(7)12)10(6)11(13)14/h2-3H,4-5H2,1H3
InChI Key:
ZESIKCRYOJDYDL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)ccc2c1CCC2=O
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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