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Home > Aldehydes > 120455-87-0
120455-87-0 | 4-Pyrimidineacetaldehyde
CAS No: 120455-87-0 Catalog No: AG007PZP MDL No:
Product Description
Catalog Number:
AG007PZP
Chemical Name:
4-Pyrimidineacetaldehyde
CAS Number:
120455-87-0
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
IUPAC Name:
2-pyrimidin-4-ylacetaldehyde
InChI:
InChI=1S/C6H6N2O/c9-4-2-6-1-3-7-5-8-6/h1,3-5H,2H2
InChI Key:
LMQNJOUKPHWTCP-UHFFFAOYSA-N
SMILES:
O=CCc1ccncn1
Properties
Complexity:
95.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.127g/mol
Monoisotopic Mass:
122.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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