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28648-78-4 | Propanedial, 2-(4-pyrimidinyl)-
CAS No: 28648-78-4 Catalog No: AG002VZA MDL No:MFCD00216530
Product Description
Catalog Number:
AG002VZA
Chemical Name:
Propanedial, 2-(4-pyrimidinyl)-
CAS Number:
28648-78-4
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
MDL Number:
MFCD00216530
IUPAC Name:
2-pyrimidin-4-ylpropanedial
InChI:
InChI=1S/C7H6N2O2/c10-3-6(4-11)7-1-2-8-5-9-7/h1-6H
InChI Key:
BQJUGEYYDDLNKB-UHFFFAOYSA-N
SMILES:
O=CC(c1ccncn1)C=O
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.137g/mol
Monoisotopic Mass:
150.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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