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Home > Nitro Compounds > 71608-10-1
71608-10-1 | 3,6-Dimethyl-2-nitrophenol
CAS No: 71608-10-1 Catalog No: AG003IQO MDL No:MFCD12198862
Product Description
Catalog Number:
AG003IQO
Chemical Name:
3,6-Dimethyl-2-nitrophenol
CAS Number:
71608-10-1
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD12198862
IUPAC Name:
3,6-dimethyl-2-nitrophenol
InChI:
InChI=1S/C8H9NO3/c1-5-3-4-6(2)8(10)7(5)9(11)12/h3-4,10H,1-2H3
InChI Key:
VIQHHRZADKSPIM-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1O)[N+](=O)[O-])C
UNII:
9T0HKQ8H5N
NSC Number:
89793
Properties
Complexity:
178
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:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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