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Home > Other Heterocycles > 140840-20-6
140840-20-6 | Bicyclo[2.2.2]oct-5-en-2-one, 1-ethenyl-
CAS No: 140840-20-6 Catalog No: AG001CW4 MDL No:
Product Description
Catalog Number:
AG001CW4
Chemical Name:
Bicyclo[2.2.2]oct-5-en-2-one, 1-ethenyl-
CAS Number:
140840-20-6
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
IUPAC Name:
1-ethenylbicyclo[2.2.2]oct-5-en-2-one
InChI:
InChI=1S/C10H12O/c1-2-10-5-3-8(4-6-10)7-9(10)11/h2-3,5,8H,1,4,6-7H2
InChI Key:
GACYOALBOCKEFU-UHFFFAOYSA-N
SMILES:
C=CC12CCC(C=C1)CC2=O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.205g/mol
Monoisotopic Mass:
148.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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