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Home > Nitro Compounds > 116480-12-7

116480-12-7

116480-12-7 | 1,3-Benzenediol, 2,5-dimethyl-4-nitroso-

CAS No: 116480-12-7 Catalog No: AG000CLC MDL No:MFCD24692855

Product Description

Catalog Number:
AG000CLC
Chemical Name:
1,3-Benzenediol, 2,5-dimethyl-4-nitroso-
CAS Number:
116480-12-7
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD24692855
IUPAC Name:
2,5-dimethyl-4-nitrosobenzene-1,3-diol
InChI:
InChI=1S/C8H9NO3/c1-4-3-6(10)5(2)8(11)7(4)9-12/h3,10-11H,1-2H3
InChI Key:
SNCLANOWOMLLKJ-UHFFFAOYSA-N
SMILES:
O=Nc1c(C)cc(c(c1O)C)O

Properties

Complexity:
174  
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:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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