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85553-53-3 | 3-(Pyridin-2-yl)benzaldehyde
CAS No: 85553-53-3 Catalog No: AG003IA2 MDL No:MFCD02684103
Product Description
Catalog Number:
AG003IA2
Chemical Name:
3-(Pyridin-2-yl)benzaldehyde
CAS Number:
85553-53-3
Molecular Formula:
C12H9NO
Molecular Weight:
183.2060
MDL Number:
MFCD02684103
IUPAC Name:
3-pyridin-2-ylbenzaldehyde
InChI:
InChI=1S/C12H9NO/c14-9-10-4-3-5-11(8-10)12-6-1-2-7-13-12/h1-9H
InChI Key:
SAPNGHSAYQXRPG-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1ccccn1
Properties
Complexity:
193
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
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