Home Nitros Benzenemethanol, 2,6-dimethyl-3-nitro-

Benzenemethanol, 2,6-dimethyl-3-nitro-

CAS No.:
82617-29-6
Catalog Number:
AG005CEU
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
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Product Description
Catalog Number:
AG005CEU
Chemical Name:
Benzenemethanol, 2,6-dimethyl-3-nitro-
CAS Number:
82617-29-6
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD16249776
IUPAC Name:
(2,6-dimethyl-3-nitrophenyl)methanol
InChI:
InChI=1S/C9H11NO3/c1-6-3-4-9(10(12)13)7(2)8(6)5-11/h3-4,11H,5H2,1-2H3
InChI Key:
IBWKCPDCFMRCQJ-UHFFFAOYSA-N
SMILES:
OCc1c(C)ccc(c1C)[N+](=O)[O-]
Properties
Complexity:
190  
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  
Properties