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Home > Nitro Compounds > 23876-13-3
23876-13-3 | 2-Methyl-3-nitrobenzyl alcohol
CAS No: 23876-13-3 Catalog No: AG003HMP MDL No:MFCD00007166
Product Description
Catalog Number:
AG003HMP
Chemical Name:
2-Methyl-3-nitrobenzyl alcohol
CAS Number:
23876-13-3
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00007166
IUPAC Name:
(2-methyl-3-nitrophenyl)methanol
InChI:
InChI=1S/C8H9NO3/c1-6-7(5-10)3-2-4-8(6)9(11)12/h2-4,10H,5H2,1H3
InChI Key:
QJANIQCEDPJNLO-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1C)[N+](=O)[O-]
EC Number:
245-923-1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| (2-Methyl-3-nitro-phen-yl)methanol. | Acta crystallographica. Section E, Structure reports online 20090801 |
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