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Home > Other Heterocycles > 88907-98-6
88907-98-6 | Ethanone, 1-(4-methoxy-4,7,7-trimethylbicyclo[4.1.0]hept-3-yl)-
CAS No: 88907-98-6 Catalog No: AG0048W8 MDL No:
Product Description
Catalog Number:
AG0048W8
Chemical Name:
Ethanone, 1-(4-methoxy-4,7,7-trimethylbicyclo[4.1.0]hept-3-yl)-
CAS Number:
88907-98-6
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
1-(4-methoxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)ethanone
InChI:
InChI=1S/C13H22O2/c1-8(14)9-6-10-11(12(10,2)3)7-13(9,4)15-5/h9-11H,6-7H2,1-5H3
InChI Key:
VIFDVRWMEIWKGY-UHFFFAOYSA-N
SMILES:
COC1(C)CC2C(CC1C(=O)C)C2(C)C
Properties
Complexity:
295
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:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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