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Home > Nitro Compounds > 4837-88-1
4837-88-1 | 2-Methyl-3-Nitroanisole
CAS No: 4837-88-1 Catalog No: AG003HMN MDL No:MFCD00007159
Product Description
Catalog Number:
AG003HMN
Chemical Name:
2-Methyl-3-Nitroanisole
CAS Number:
4837-88-1
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00007159
IUPAC Name:
1-methoxy-2-methyl-3-nitrobenzene
InChI:
InChI=1S/C8H9NO3/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5H,1-2H3
InChI Key:
HQCZLEAGIOIIMC-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C)N(=O)=O
EC Number:
225-424-5
Properties
Complexity:
166
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:
0
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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