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Home > Nitro Compounds > 119273-81-3
119273-81-3 | 1H-Inden-1-ol, 2,3-dihydro-6-nitro-
CAS No: 119273-81-3 Catalog No: AG000II0 MDL No:MFCD11858299
Product Description
Catalog Number:
AG000II0
Chemical Name:
1H-Inden-1-ol, 2,3-dihydro-6-nitro-
CAS Number:
119273-81-3
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD11858299
IUPAC Name:
6-nitro-2,3-dihydro-1H-inden-1-ol
InChI:
InChI=1S/C9H9NO3/c11-9-4-2-6-1-3-7(10(12)13)5-8(6)9/h1,3,5,9,11H,2,4H2
InChI Key:
VHQKWLILGPELQO-UHFFFAOYSA-N
SMILES:
OC1CCc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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