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13516-56-8 | 2,2'-(ethane-1,2-diyldibenzene-4,1-diyl)bis(oxoacetaldehyde)
CAS No: 13516-56-8 Catalog No: AG006ZCW MDL No:
Product Description
Catalog Number:
AG006ZCW
Chemical Name:
2,2'-(ethane-1,2-diyldibenzene-4,1-diyl)bis(oxoacetaldehyde)
CAS Number:
13516-56-8
Molecular Formula:
C18H14O4
Molecular Weight:
294.3014
IUPAC Name:
2-[4-[2-(4-oxaldehydoylphenyl)ethyl]phenyl]-2-oxoacetaldehyde
InChI:
InChI=1S/C18H14O4/c19-11-17(21)15-7-3-13(4-8-15)1-2-14-5-9-16(10-6-14)18(22)12-20/h3-12H,1-2H2
InChI Key:
HIQAEPZKKYAGFD-UHFFFAOYSA-N
SMILES:
O=CC(=O)c1ccc(cc1)CCc1ccc(cc1)C(=O)C=O
NSC Number:
89022
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.089g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.306g/mol
Monoisotopic Mass:
294.089g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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