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86616-79-7 | 2-Cyclohepten-1-one, 3-ethoxy-7-(2-propenyl)-
CAS No: 86616-79-7 Catalog No: AG004P0F MDL No:
Product Description
Catalog Number:
AG004P0F
Chemical Name:
2-Cyclohepten-1-one, 3-ethoxy-7-(2-propenyl)-
CAS Number:
86616-79-7
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
3-ethoxy-7-prop-2-enylcyclohept-2-en-1-one
InChI:
InChI=1S/C12H18O2/c1-3-6-10-7-5-8-11(14-4-2)9-12(10)13/h3,9-10H,1,4-8H2,2H3
InChI Key:
LWIHWKOERRWDFF-UHFFFAOYSA-N
SMILES:
C=CCC1CCCC(=CC1=O)OCC
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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