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Home > Other Heterocycles > 88930-79-4
88930-79-4 | Ethanone, 1-(7,7-dimethyl-4-methylenebicyclo[4.1.0]hept-3-yl)-
CAS No: 88930-79-4 Catalog No: AG0048V3 MDL No:
Product Description
Catalog Number:
AG0048V3
Chemical Name:
Ethanone, 1-(7,7-dimethyl-4-methylenebicyclo[4.1.0]hept-3-yl)-
CAS Number:
88930-79-4
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
1-(7,7-dimethyl-4-methylidene-3-bicyclo[4.1.0]heptanyl)ethanone
InChI:
InChI=1S/C12H18O/c1-7-5-10-11(12(10,3)4)6-9(7)8(2)13/h9-11H,1,5-6H2,2-4H3
InChI Key:
XJFODMWYESCKRR-UHFFFAOYSA-N
SMILES:
C=C1CC2C(CC1C(=O)C)C2(C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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