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Home > Aldehydes > 113203-37-5
113203-37-5 | 5-Pyrimidinecarboxaldehyde, 4,6-diamino-1,2-dihydro-2-oxo-
CAS No: 113203-37-5 Catalog No: AG0082BU MDL No:
Product Description
Catalog Number:
AG0082BU
Chemical Name:
5-Pyrimidinecarboxaldehyde, 4,6-diamino-1,2-dihydro-2-oxo-
CAS Number:
113203-37-5
Molecular Formula:
C5H6N4O2
Molecular Weight:
154.1267
IUPAC Name:
4,6-diamino-2-oxo-1H-pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C5H6N4O2/c6-3-2(1-10)4(7)9-5(11)8-3/h1H,(H5,6,7,8,9,11)
InChI Key:
CBEMFMTWZRBQBO-UHFFFAOYSA-N
SMILES:
O=Cc1c(N)nc(=O)[nH]c1N
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.049g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
154.129g/mol
Monoisotopic Mass:
154.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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