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Home > Other Heterocycles > 23747-17-3
23747-17-3 | 4-methoxy-1,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CAS No: 23747-17-3 Catalog No: AG01C0JF MDL No:MFCD01111309
Product Description
Catalog Number:
AG01C0JF
Chemical Name:
4-methoxy-1,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CAS Number:
23747-17-3
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
MDL Number:
MFCD01111309
IUPAC Name:
4-methoxy-1,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
InChI:
InChI=1S/C12H18O2/c1-11(2)8-5-6-12(11,3)10(13)7-9(8)14-4/h7-8H,5-6H2,1-4H3
InChI Key:
LCWZVIODSIIJGJ-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)C2(C(C1CC2)(C)C)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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