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Home > Aldehydes > 166757-62-6
166757-62-6 | 5-Pyrimidinecarboxaldehyde, 1,2-dihydro-2-oxo-
CAS No: 166757-62-6 Catalog No: AG001WXX MDL No:MFCD10696897
Product Description
Catalog Number:
AG001WXX
Chemical Name:
5-Pyrimidinecarboxaldehyde, 1,2-dihydro-2-oxo-
CAS Number:
166757-62-6
Molecular Formula:
C5H4N2O2
Molecular Weight:
124.0975
MDL Number:
MFCD10696897
IUPAC Name:
2-oxo-1H-pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C5H4N2O2/c8-3-4-1-6-5(9)7-2-4/h1-3H,(H,6,7,9)
InChI Key:
SXSQXMJTKWVULJ-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(=O)[nH]c1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.027g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.099g/mol
Monoisotopic Mass:
124.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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