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Home > Nitro Compounds > 6994-63-4
6994-63-4 | 3-nitro-2,6-xylenol
CAS No: 6994-63-4 Catalog No: AG00FVAM MDL No:MFCD09971492
Product Description
Catalog Number:
AG00FVAM
Chemical Name:
3-nitro-2,6-xylenol
CAS Number:
6994-63-4
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD09971492
IUPAC Name:
2,6-dimethyl-3-nitrophenol
InChI:
InChI=1S/C8H9NO3/c1-5-3-4-7(9(11)12)6(2)8(5)10/h3-4,10H,1-2H3
InChI Key:
TZASZCQVZPLXHP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1C)O)C
EC Number:
230-267-0
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:
2.1
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