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Home > Nitro Compounds > 138040-06-9
138040-06-9 | 2-Cyclohexen-1-one, 2-(2-nitrophenyl)-3-(2-propen-1-yloxy)-
CAS No: 138040-06-9 Catalog No: AG0017VT MDL No:
Product Description
Catalog Number:
AG0017VT
Chemical Name:
2-Cyclohexen-1-one, 2-(2-nitrophenyl)-3-(2-propen-1-yloxy)-
CAS Number:
138040-06-9
Molecular Formula:
C15H15NO4
Molecular Weight:
273.2839
IUPAC Name:
2-(2-nitrophenyl)-3-prop-2-enoxycyclohex-2-en-1-one
InChI:
InChI=1S/C15H15NO4/c1-2-10-20-14-9-5-8-13(17)15(14)11-6-3-4-7-12(11)16(18)19/h2-4,6-7H,1,5,8-10H2
InChI Key:
HUVZZXCXTUONAA-UHFFFAOYSA-N
SMILES:
C=CCOC1=C(C(=O)CCC1)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.288g/mol
Monoisotopic Mass:
273.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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