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112379-05-2 | 6-Hepten-2-one, 6-(6-methyl-7-oxabicyclo[4.1.0]hept-3-yl)-
CAS No: 112379-05-2 Catalog No: AG007B9W MDL No:
Product Description
Catalog Number:
AG007B9W
Chemical Name:
6-Hepten-2-one, 6-(6-methyl-7-oxabicyclo[4.1.0]hept-3-yl)-
CAS Number:
112379-05-2
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
IUPAC Name:
6-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)hept-6-en-2-one
InChI:
InChI=1S/C14H22O2/c1-10(5-4-6-11(2)15)12-7-8-14(3)13(9-12)16-14/h12-13H,1,4-9H2,2-3H3
InChI Key:
RYNCDGCAPHPVHR-UHFFFAOYSA-N
SMILES:
CC(=O)CCCC(=C)C1CCC2(C(C1)O2)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.328g/mol
Monoisotopic Mass:
222.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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