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Home > Nitro Compounds > 40870-59-5
40870-59-5 | (4-Methyl-3-nitrophenyl)methanol
CAS No: 40870-59-5 Catalog No: AG003LQT MDL No:MFCD00007177
Product Description
Catalog Number:
AG003LQT
Chemical Name:
(4-Methyl-3-nitrophenyl)methanol
CAS Number:
40870-59-5
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00007177
IUPAC Name:
(4-methyl-3-nitrophenyl)methanol
InChI:
InChI=1S/C8H9NO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,10H,5H2,1H3
InChI Key:
URCWIFSXDARYLY-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)[N+](=O)[O-])C
EC Number:
255-120-8
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:
1.2
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