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2435-50-9

2435-50-9 | Pyrimidine-4-carbaldehyde

CAS No: 2435-50-9 Catalog No: AG0035JW MDL No:MFCD03789624

Product Description

Catalog Number:
AG0035JW
Chemical Name:
Pyrimidine-4-carbaldehyde
CAS Number:
2435-50-9
Molecular Formula:
C5H4N2O
Molecular Weight:
108.0981
MDL Number:
MFCD03789624
IUPAC Name:
pyrimidine-4-carbaldehyde
InChI:
InChI=1S/C5H4N2O/c8-3-5-1-2-6-4-7-5/h1-4H
InChI Key:
OKULHRWWYCFJAB-UHFFFAOYSA-N
SMILES:
O=Cc1ccncn1

Properties

Complexity:
84.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.032g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.1g/mol
Monoisotopic Mass:
108.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  

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