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Home > Other Heterocycles > 88907-99-7
88907-99-7 | Ethanone, 1-(5-methoxy-4,7,7-trimethylbicyclo[4.1.0]hept-3-yl)-
CAS No: 88907-99-7 Catalog No: AG004913 MDL No:
Product Description
Catalog Number:
AG004913
Chemical Name:
Ethanone, 1-(5-methoxy-4,7,7-trimethylbicyclo[4.1.0]hept-3-yl)-
CAS Number:
88907-99-7
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
1-(5-methoxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)ethanone
InChI:
InChI=1S/C13H22O2/c1-7-9(8(2)14)6-10-11(12(7)15-5)13(10,3)4/h7,9-12H,6H2,1-5H3
InChI Key:
GTZDPPOWUXQLHI-UHFFFAOYSA-N
SMILES:
COC1C(C)C(CC2C1C2(C)C)C(=O)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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