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80109-86-0

80109-86-0 | 4,6-Pyrimidinedicarboxaldehyde, 2-phenyl-

CAS No: 80109-86-0 Catalog No: AG0054NA MDL No:

Product Description

Catalog Number:
AG0054NA
Chemical Name:
4,6-Pyrimidinedicarboxaldehyde, 2-phenyl-
CAS Number:
80109-86-0
Molecular Formula:
C12H8N2O2
Molecular Weight:
212.2041
IUPAC Name:
2-phenylpyrimidine-4,6-dicarbaldehyde
InChI:
InChI=1S/C12H8N2O2/c15-7-10-6-11(8-16)14-12(13-10)9-4-2-1-3-5-9/h1-8H
InChI Key:
KIBPCGYMWCKMNL-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C=O)nc(n1)c1ccccc1

Properties

Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.059g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.208g/mol
Monoisotopic Mass:
212.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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