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Home > Nitro Compounds > 89331-01-1
89331-01-1 | 2(1H)-Naphthalenone,3,4-dihydro-5-nitro-
CAS No: 89331-01-1 Catalog No: AG003ZK4 MDL No:
Product Description
Catalog Number:
AG003ZK4
Chemical Name:
2(1H)-Naphthalenone,3,4-dihydro-5-nitro-
CAS Number:
89331-01-1
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
IUPAC Name:
5-nitro-3,4-dihydro-1H-naphthalen-2-one
InChI:
InChI=1S/C10H9NO3/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14/h1-3H,4-6H2
InChI Key:
HCTMHJVZTNLVLJ-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(C1)cccc2[N+](=O)[O-]
Properties
Complexity:
259
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:
1.4
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