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99163-12-9 | 4-Pyridin-4-yl-benzaldehyde
CAS No: 99163-12-9 Catalog No: AG0066AN MDL No:MFCD02684110
Product Description
Catalog Number:
AG0066AN
Chemical Name:
4-Pyridin-4-yl-benzaldehyde
CAS Number:
99163-12-9
Molecular Formula:
C12H9NO
Molecular Weight:
183.2060
MDL Number:
MFCD02684110
IUPAC Name:
4-pyridin-4-ylbenzaldehyde
InChI:
InChI=1S/C12H9NO/c14-9-10-1-3-11(4-2-10)12-5-7-13-8-6-12/h1-9H
InChI Key:
MBJXDIYHLGBQOT-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1ccncc1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.21g/mol
Monoisotopic Mass:
183.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| PEG-SO(3)H catalyzed synthesis and cytotoxicity of α-aminophosphonates. | European journal of medicinal chemistry 20120101 |
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