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Home > Nitro Compounds > 19499-93-5
19499-93-5 | 2,3-Dimethyl-4-nitrophenol
CAS No: 19499-93-5 Catalog No: AG003FK3 MDL No:MFCD01861284
Product Description
Catalog Number:
AG003FK3
Chemical Name:
2,3-Dimethyl-4-nitrophenol
CAS Number:
19499-93-5
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD01861284
IUPAC Name:
2,3-dimethyl-4-nitrophenol
InChI:
InChI=1S/C8H9NO3/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4,10H,1-2H3
InChI Key:
DAEZHJNJHQAEPE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1C)C)O
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:
1.4
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