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Home > Pyridines > 145912-93-2
145912-93-2 | 3-Pyridinebutanal
CAS No: 145912-93-2 Catalog No: AG001DHN MDL No:
Product Description
Catalog Number:
AG001DHN
Chemical Name:
3-Pyridinebutanal
CAS Number:
145912-93-2
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
IUPAC Name:
4-pyridin-3-ylbutanal
InChI:
InChI=1S/C9H11NO/c11-7-2-1-4-9-5-3-6-10-8-9/h3,5-8H,1-2,4H2
InChI Key:
LGCBVEQNSDSLIH-UHFFFAOYSA-N
SMILES:
O=CCCCc1cccnc1
UNII:
6TE20CB8MW
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Lysyl oxidase, a critical intra- and extra-cellular target in the lung for cigarette smoke pathogenesis. | International journal of environmental research and public health 20110101 |
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