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Home > Other Heterocycles > 89128-12-1
89128-12-1 | 3-Penten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-, (E)-
CAS No: 89128-12-1 Catalog No: AG003Z52 MDL No:
Product Description
Catalog Number:
AG003Z52
Chemical Name:
3-Penten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-, (E)-
CAS Number:
89128-12-1
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
IUPAC Name:
4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)pent-3-en-2-one
InChI:
InChI=1S/C14H22O2/c1-10(9-11(2)15)14-12(3,4)7-6-8-13(14,5)16-14/h9H,6-8H2,1-5H3
InChI Key:
RNLTZJIZBIPGAV-UHFFFAOYSA-N
SMILES:
CC(=O)/C=C(/C12OC2(C)CCCC1(C)C)\C
Properties
Complexity:
367
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:
2
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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