[1,1':3',1''-Terphenyl]-4,4'',5'-tricarbaldehyde
Product Information
Molecular Formula
C21H14O3
Molecular Weight
314.33
Synonyms
[1,1':3',1''-Terphenyl]-4,4'',5'-tricarbaldehyde; 1977585-07-1; 3,5-bis(4-formylphenyl)benzaldehyde; [1,1':3',1''-Terphenyl]-4,4'',5'-tricarboxaldehyde
IUPAC Name
3,5-bis(4-formylphenyl)benzaldehyde
SMILES
C1=CC(=CC=C1C=O)C2=CC(=CC(=C2)C=O)C3=CC=C(C=C3)C=O
InChI
InChI=1S/C21H14O3/c22-12-15-1-5-18(6-2-15)20-9-17(14-24)10-21(11-20)19-7-3-16(13-23)4-8-19/h1-14H
InChI Key
KHAUIFXBTYZWBJ-UHFFFAOYSA-N
Purity
98%
Safety Information
Hazards
H302-H315-H319
Precautionary Statement
P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
GHS Pictogram
GHS07
Signal Word
Warning
Computed Properties
XLogP3
3.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
314.094294304
Monoisotopic Mass
314.094294304
Topological Polar Surface Area
51.2
Heavy Atom Count
24
Formal Charge
0
Complexity
394
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
