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Home > Nitro Compounds > 75476-80-1
75476-80-1 | 1H-Indene, 6-nitro-
CAS No: 75476-80-1 Catalog No: AG005B7W MDL No:
Product Description
Catalog Number:
AG005B7W
Chemical Name:
1H-Indene, 6-nitro-
CAS Number:
75476-80-1
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
IUPAC Name:
6-nitro-1H-indene
InChI:
InChI=1S/C9H7NO2/c11-10(12)9-5-4-7-2-1-3-8(7)6-9/h1-2,4-6H,3H2
InChI Key:
UJHGOFSFBKXJNM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)CC=C2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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