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24289-53-0 | 7-Oxabicyclo[4.1.0]hept-4-ene-2,3-dione, 1,5-bis(1,1-dimethylethyl)-
CAS No: 24289-53-0 Catalog No: AG006WKY MDL No:
Product Description
Catalog Number:
AG006WKY
Chemical Name:
7-Oxabicyclo[4.1.0]hept-4-ene-2,3-dione, 1,5-bis(1,1-dimethylethyl)-
CAS Number:
24289-53-0
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
1,5-ditert-butyl-7-oxabicyclo[4.1.0]hept-4-ene-2,3-dione
InChI:
InChI=1S/C14H20O3/c1-12(2,3)8-7-9(15)10(16)14(11(8)17-14)13(4,5)6/h7,11H,1-6H3
InChI Key:
YDRPZLMYOHNXMF-UHFFFAOYSA-N
SMILES:
O=C1C=C(C2C(C1=O)(O2)C(C)(C)C)C(C)(C)C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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