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Home > Nitro Compounds > 24623-25-4
24623-25-4 | 1H-Inden-1-one, 2,3-dihydro-4-nitro-
CAS No: 24623-25-4 Catalog No: AG002OTN MDL No:MFCD06656901
Product Description
Catalog Number:
AG002OTN
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-4-nitro-
CAS Number:
24623-25-4
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD06656901
IUPAC Name:
4-nitro-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H7NO3/c11-9-5-4-6-7(9)2-1-3-8(6)10(12)13/h1-3H,4-5H2
InChI Key:
QIIWEVWPOBNGLP-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1cccc2[N+](=O)[O-]
EC Number:
246-367-2
NSC Number:
225091
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
Literature
| Title | Journal |
|---|---|
| Structures of trihydroxynaphthalene reductase-fungicide complexes: implications for structure-based design and catalysis. | Structure (London, England : 1993) 20010110 |
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