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Home > Other Heterocycles > 88926-06-1
88926-06-1 | 1,3-Cyclohexanedione, 5-bicyclo[2.2.1]hept-5-en-2-yl-2-(1-oxopropyl)-
CAS No: 88926-06-1 Catalog No: AG00488A MDL No:
Product Description
Catalog Number:
AG00488A
Chemical Name:
1,3-Cyclohexanedione, 5-bicyclo[2.2.1]hept-5-en-2-yl-2-(1-oxopropyl)-
CAS Number:
88926-06-1
Molecular Formula:
C16H20O3
Molecular Weight:
260.3282
IUPAC Name:
5-(2-bicyclo[2.2.1]hept-5-enyl)-2-propanoylcyclohexane-1,3-dione
InChI:
InChI=1S/C16H20O3/c1-2-13(17)16-14(18)7-11(8-15(16)19)12-6-9-3-4-10(12)5-9/h3-4,9-12,16H,2,5-8H2,1H3
InChI Key:
YOLNGEQITPFPAV-UHFFFAOYSA-N
SMILES:
CCC(=O)C1C(=O)CC(CC1=O)C1CC2CC1C=C2
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.141g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.333g/mol
Monoisotopic Mass:
260.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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