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Home > Nitro Compounds > 89210-28-6
89210-28-6 | Benzenemethanol, 2,6-dimethyl-4-nitro-
CAS No: 89210-28-6 Catalog No: AG004641 MDL No:
Product Description
Catalog Number:
AG004641
Chemical Name:
Benzenemethanol, 2,6-dimethyl-4-nitro-
CAS Number:
89210-28-6
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
(2,6-dimethyl-4-nitrophenyl)methanol
InChI:
InChI=1S/C9H11NO3/c1-6-3-8(10(12)13)4-7(2)9(6)5-11/h3-4,11H,5H2,1-2H3
InChI Key:
JSJPDTNBJIBDGC-UHFFFAOYSA-N
SMILES:
OCc1c(C)cc(cc1C)[N+](=O)[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:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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