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78213-69-1 | 4,6-Pyrimidinedicarboxaldehyde
CAS No: 78213-69-1 Catalog No: AG0054P2 MDL No:MFCD10697034
Product Description
Catalog Number:
AG0054P2
Chemical Name:
4,6-Pyrimidinedicarboxaldehyde
CAS Number:
78213-69-1
Molecular Formula:
C6H4N2O2
Molecular Weight:
136.1082
MDL Number:
MFCD10697034
IUPAC Name:
pyrimidine-4,6-dicarbaldehyde
InChI:
InChI=1S/C6H4N2O2/c9-2-5-1-6(3-10)8-4-7-5/h1-4H
InChI Key:
PGWZFOMWBKJPRP-UHFFFAOYSA-N
SMILES:
O=Cc1ncnc(c1)C=O
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.027g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.11g/mol
Monoisotopic Mass:
136.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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