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Home > Other Heterocycles > 66125-18-6
66125-18-6 | Bicyclo[4.2.0]octa-3,7-dien-2-one, 5-(oxodiphenylethylidene)-
CAS No: 66125-18-6 Catalog No: AG006JP9 MDL No:
Product Description
Catalog Number:
AG006JP9
Chemical Name:
Bicyclo[4.2.0]octa-3,7-dien-2-one, 5-(oxodiphenylethylidene)-
CAS Number:
66125-18-6
Molecular Formula:
C22H18O2
Molecular Weight:
314.3771
IUPAC Name:
5-[2-(6-oxocyclohexa-2,4-dien-1-yl)-2-phenylethylidene]bicyclo[4.2.0]octa-3,7-dien-2-one
InChI:
InChI=1S/C22H18O2/c23-21-9-5-4-8-18(21)20(15-6-2-1-3-7-15)14-16-10-13-22(24)19-12-11-17(16)19/h1-14,17-20H
InChI Key:
SMTXCTJLRKROBU-UHFFFAOYSA-N
SMILES:
O=C1C=CC=CC1C(c1ccccc1)C=C1C=CC(=O)C2C1C=C2
Properties
Complexity:
683
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.131g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.384g/mol
Monoisotopic Mass:
314.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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