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Home > Nitro Compounds > 126759-31-7
126759-31-7 | Benzene, 2-ethenyl-4-methoxy-1-nitro-
CAS No: 126759-31-7 Catalog No: AG000T74 MDL No:
Product Description
Catalog Number:
AG000T74
Chemical Name:
Benzene, 2-ethenyl-4-methoxy-1-nitro-
CAS Number:
126759-31-7
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
IUPAC Name:
2-ethenyl-4-methoxy-1-nitrobenzene
InChI:
InChI=1S/C9H9NO3/c1-3-7-6-8(13-2)4-5-9(7)10(11)12/h3-6H,1H2,2H3
InChI Key:
VMTWYWDOHGONIK-UHFFFAOYSA-N
SMILES:
C=Cc1cc(OC)ccc1[N+](=O)[O-]
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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