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Home > Nitro Compounds > 913297-09-3
913297-09-3 | 4-Nitro-2-indanone
CAS No: 913297-09-3 Catalog No: AG00GUJM MDL No:MFCD09744097
Product Description
Catalog Number:
AG00GUJM
Chemical Name:
4-Nitro-2-indanone
CAS Number:
913297-09-3
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD09744097
IUPAC Name:
4-nitro-1,3-dihydroinden-2-one
InChI:
InChI=1S/C9H7NO3/c11-7-4-6-2-1-3-9(10(12)13)8(6)5-7/h1-3H,4-5H2
InChI Key:
AZJBBXINNYUQEO-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(C1)c(ccc2)[N+](=O)[O-]
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:
1.1
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