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Home > Nitro Compounds > 80866-76-8
80866-76-8 | (3-Methyl-2-nitrophenyl)methanol
CAS No: 80866-76-8 Catalog No: AG003JPA MDL No:MFCD00007182
Product Description
Catalog Number:
AG003JPA
Chemical Name:
(3-Methyl-2-nitrophenyl)methanol
CAS Number:
80866-76-8
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00007182
IUPAC Name:
(3-methyl-2-nitrophenyl)methanol
InChI:
InChI=1S/C8H9NO3/c1-6-3-2-4-7(5-10)8(6)9(11)12/h2-4,10H,5H2,1H3
InChI Key:
NELPTBUSFQMYOB-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1[N+](=O)[O-])C
EC Number:
279-579-9
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:
1.7
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