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260441-07-4 | 2-Pyrimidinepropanal
CAS No: 260441-07-4 Catalog No: AG002RHT MDL No:MFCD10696564
Product Description
Catalog Number:
AG002RHT
Chemical Name:
2-Pyrimidinepropanal
CAS Number:
260441-07-4
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
MDL Number:
MFCD10696564
IUPAC Name:
3-pyrimidin-2-ylpropanal
InChI:
InChI=1S/C7H8N2O/c10-6-1-3-7-8-4-2-5-9-7/h2,4-6H,1,3H2
InChI Key:
MIOZFOYTBFZESE-UHFFFAOYSA-N
SMILES:
O=CCCc1ncccn1
Properties
Complexity:
99.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.064g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.154g/mol
Monoisotopic Mass:
136.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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