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Home > Nitro Compounds > 29559-26-0
29559-26-0 | Benzene, 1-methoxy-4-(nitromethyl)-
CAS No: 29559-26-0 Catalog No: AG002YR6 MDL No:
Product Description
Catalog Number:
AG002YR6
Chemical Name:
Benzene, 1-methoxy-4-(nitromethyl)-
CAS Number:
29559-26-0
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
IUPAC Name:
1-methoxy-4-(nitromethyl)benzene
InChI:
InChI=1S/C8H9NO3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3
InChI Key:
UJCOXURVZQOGFN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C[N+](=O)[O-]
Properties
Complexity:
147
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:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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