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Home > Nitro Compounds > 120106-18-5
120106-18-5 | Benzene, 2-methyl-1-nitro-4-(2-propen-1-yloxy)-
CAS No: 120106-18-5 Catalog No: AG000QCN MDL No:
Product Description
Catalog Number:
AG000QCN
Chemical Name:
Benzene, 2-methyl-1-nitro-4-(2-propen-1-yloxy)-
CAS Number:
120106-18-5
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
IUPAC Name:
2-methyl-1-nitro-4-prop-2-enoxybenzene
InChI:
InChI=1S/C10H11NO3/c1-3-6-14-9-4-5-10(11(12)13)8(2)7-9/h3-5,7H,1,6H2,2H3
InChI Key:
DGLFFFUDCZTPCT-UHFFFAOYSA-N
SMILES:
C=CCOc1ccc(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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