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Home > Nitro Compounds > 116480-13-8
116480-13-8 | 1,3-Benzenediol, 5-methyl-4-nitroso-
CAS No: 116480-13-8 Catalog No: AG000CLB MDL No:
Product Description
Catalog Number:
AG000CLB
Chemical Name:
1,3-Benzenediol, 5-methyl-4-nitroso-
CAS Number:
116480-13-8
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
IUPAC Name:
5-methyl-4-nitrosobenzene-1,3-diol
InChI:
InChI=1S/C7H7NO3/c1-4-2-5(9)3-6(10)7(4)8-11/h2-3,9-10H,1H3
InChI Key:
PXLZOYARTHUMNC-UHFFFAOYSA-N
SMILES:
O=Nc1c(C)cc(cc1O)O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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