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Home > Nitro Compounds > 34701-14-9
34701-14-9 | 4-Nitro-2,3-dihydro-1H-indene
CAS No: 34701-14-9 Catalog No: AG003LUM MDL No:MFCD00078173
Product Description
Catalog Number:
AG003LUM
Chemical Name:
4-Nitro-2,3-dihydro-1H-indene
CAS Number:
34701-14-9
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD00078173
IUPAC Name:
4-nitro-2,3-dihydro-1H-indene
InChI:
InChI=1S/C9H9NO2/c11-10(12)9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5H2
InChI Key:
ZQABKMBXKCJTPM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1CCC2
EC Number:
252-159-2
NSC Number:
76671
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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