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Home > Nitro Compounds > 24623-24-3
24623-24-3 | 1H-Inden-1-one, 2,3-dihydro-6-nitro-
CAS No: 24623-24-3 Catalog No: AG002OTO MDL No:MFCD06656903
Product Description
Catalog Number:
AG002OTO
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-6-nitro-
CAS Number:
24623-24-3
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD06656903
IUPAC Name:
6-nitro-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H7NO3/c11-9-4-2-6-1-3-7(10(12)13)5-8(6)9/h1,3,5H,2,4H2
InChI Key:
MLRACZPAMDFORH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)C(=O)CC2
EC Number:
246-366-7
NSC Number:
225094
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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