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1802-16-0 | 3-Pyridinepropanal
CAS No: 1802-16-0 Catalog No: AG0021SA MDL No:
Product Description
Catalog Number:
AG0021SA
Chemical Name:
3-Pyridinepropanal
CAS Number:
1802-16-0
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
IUPAC Name:
3-pyridin-3-ylpropanal
InChI:
InChI=1S/C8H9NO/c10-6-2-4-8-3-1-5-9-7-8/h1,3,5-7H,2,4H2
InChI Key:
MQGVOSGGRHAKOE-UHFFFAOYSA-N
SMILES:
O=CCCc1cccnc1
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.166g/mol
Monoisotopic Mass:
135.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of combretastatin A-4 and three combretastatin-based hybrids. | Natural product communications 20120801 |
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