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Home > Other Heterocycles > 6809-95-6
6809-95-6 | BICYCLO[4.2.0]OCTA-1,3,5-TRIEN-7-YL BENZYL KETONE
CAS No: 6809-95-6 Catalog No: AG006FZI MDL No:
Product Description
Catalog Number:
AG006FZI
Chemical Name:
BICYCLO[4.2.0]OCTA-1,3,5-TRIEN-7-YL BENZYL KETONE
CAS Number:
6809-95-6
Molecular Formula:
C16H14O
Molecular Weight:
222.2818
IUPAC Name:
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone
InChI:
InChI=1S/C16H14O/c17-16(10-12-6-2-1-3-7-12)15-11-13-8-4-5-9-14(13)15/h1-9,15H,10-11H2
InChI Key:
MWRCQJJQFQLAJJ-UHFFFAOYSA-N
SMILES:
O=C(C1Cc2c1cccc2)Cc1ccccc1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.287g/mol
Monoisotopic Mass:
222.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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