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Home > Aldehydes > 850859-98-2
850859-98-2 | [1,1':4',1''-Terphenyl]-2',5'-dicarboxaldehyde, 4,4''-dimethyl-
CAS No: 850859-98-2 Catalog No: AG004RQB MDL No:
Product Description
Catalog Number:
AG004RQB
Chemical Name:
[1,1':4',1''-Terphenyl]-2',5'-dicarboxaldehyde, 4,4''-dimethyl-
CAS Number:
850859-98-2
Molecular Formula:
C22H18O2
Molecular Weight:
314.3771
IUPAC Name:
2,5-bis(4-methylphenyl)terephthalaldehyde
InChI:
InChI=1S/C22H18O2/c1-15-3-7-17(8-4-15)21-11-20(14-24)22(12-19(21)13-23)18-9-5-16(2)6-10-18/h3-14H,1-2H3
InChI Key:
RYQZTNLIQGCTKH-UHFFFAOYSA-N
SMILES:
O=Cc1cc(c(cc1c1ccc(cc1)C)C=O)c1ccc(cc1)C
Properties
Complexity:
376
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:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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