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113737-63-6

113737-63-6 | 3,5-Pyridinedicarboxaldehyde, 1,4-dihydro-4-phenyl-1-(phenylmethyl)-

CAS No: 113737-63-6 Catalog No: AG0009HK MDL No:

Product Description

Catalog Number:
AG0009HK
Chemical Name:
3,5-Pyridinedicarboxaldehyde, 1,4-dihydro-4-phenyl-1-(phenylmethyl)-
CAS Number:
113737-63-6
Molecular Formula:
C20H17NO2
Molecular Weight:
303.3545
IUPAC Name:
1-benzyl-4-phenyl-4H-pyridine-3,5-dicarbaldehyde
InChI:
InChI=1S/C20H17NO2/c22-14-18-12-21(11-16-7-3-1-4-8-16)13-19(15-23)20(18)17-9-5-2-6-10-17/h1-10,12-15,20H,11H2
InChI Key:
GGBYQQZVWHZQJD-UHFFFAOYSA-N
SMILES:
O=CC1=CN(Cc2ccccc2)C=C(C1c1ccccc1)C=O

Properties

Complexity:
456  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.126g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.361g/mol
Monoisotopic Mass:
303.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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