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Home > Nitro Compounds > 124317-01-7
124317-01-7 | Benzene, 1-methyl-4-nitro-2-(2-propen-1-yloxy)-
CAS No: 124317-01-7 Catalog No: AG000LTL MDL No:
Product Description
Catalog Number:
AG000LTL
Chemical Name:
Benzene, 1-methyl-4-nitro-2-(2-propen-1-yloxy)-
CAS Number:
124317-01-7
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
IUPAC Name:
1-methyl-4-nitro-2-prop-2-enoxybenzene
InChI:
InChI=1S/C10H11NO3/c1-3-6-14-10-7-9(11(12)13)5-4-8(10)2/h3-5,7H,1,6H2,2H3
InChI Key:
CSVSKPNSMNFOQN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(OCC=C)c(cc1)C
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:
2.7
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