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Home > Other Heterocycles > 88711-74-4
88711-74-4 | Spiro[2.5]oct-7-en-4-one, 1-ethenyl-6,6,8-trimethyl-
CAS No: 88711-74-4 Catalog No: AG0045UG MDL No:
Product Description
Catalog Number:
AG0045UG
Chemical Name:
Spiro[2.5]oct-7-en-4-one, 1-ethenyl-6,6,8-trimethyl-
CAS Number:
88711-74-4
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
IUPAC Name:
2-ethenyl-4,6,6-trimethylspiro[2.5]oct-4-en-8-one
InChI:
InChI=1S/C13H18O/c1-5-10-7-13(10)9(2)6-12(3,4)8-11(13)14/h5-6,10H,1,7-8H2,2-4H3
InChI Key:
WADVOBSZTXZAIR-UHFFFAOYSA-N
SMILES:
C=CC1CC21C(=O)CC(C=C2C)(C)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.286g/mol
Monoisotopic Mass:
190.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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