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Home > Other Heterocycles > 334537-11-0
334537-11-0 | 11-Oxabicyclo[8.2.1]tridec-1(13)-ene-6,12-dione, 5,9,9-trimethyl-
CAS No: 334537-11-0 Catalog No: AG007FD5 MDL No:
Product Description
Catalog Number:
AG007FD5
Chemical Name:
11-Oxabicyclo[8.2.1]tridec-1(13)-ene-6,12-dione, 5,9,9-trimethyl-
CAS Number:
334537-11-0
Molecular Formula:
C15H22O3
Molecular Weight:
250.3334
IUPAC Name:
5,9,9-trimethyl-11-oxabicyclo[8.2.1]tridec-1(13)-ene-6,12-dione
InChI:
InChI=1S/C15H22O3/c1-10-5-4-6-11-9-13(18-14(11)17)15(2,3)8-7-12(10)16/h9-10,13H,4-8H2,1-3H3
InChI Key:
LLGOQLGIEBQDFP-UHFFFAOYSA-N
SMILES:
CC1CCCC2=CC(C(CCC1=O)(C)C)OC2=O
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.338g/mol
Monoisotopic Mass:
250.157g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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