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Home > Other Heterocycles > 137662-13-6
137662-13-6 | Methanone, 1,3-phenylenebis[bicyclo[4.2.0]octa-1,3,5-trien-3-yl- (9CI)
CAS No: 137662-13-6 Catalog No: AG0013P7 MDL No:
Product Description
Catalog Number:
AG0013P7
Chemical Name:
Methanone, 1,3-phenylenebis[bicyclo[4.2.0]octa-1,3,5-trien-3-yl- (9CI)
CAS Number:
137662-13-6
Molecular Formula:
C24H18O2
Molecular Weight:
338.3985
IUPAC Name:
[3-(bicyclo[4.2.0]octa-1(6),2,4-triene-3-carbonyl)phenyl]-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanone
InChI:
InChI=1S/C24H18O2/c25-23(21-10-6-15-4-8-17(15)12-21)19-2-1-3-20(14-19)24(26)22-11-7-16-5-9-18(16)13-22/h1-3,6-7,10-14H,4-5,8-9H2
InChI Key:
UGCJLRIKVHXOCP-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)CC2)c1cccc(c1)C(=O)c1ccc2c(c1)CC2
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.131g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.406g/mol
Monoisotopic Mass:
338.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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