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176690-44-1 | Benzaldehyde, 2-(3-pyridinyl)-
CAS No: 176690-44-1 Catalog No: AG0024TG MDL No:MFCD02684097
Product Description
Catalog Number:
AG0024TG
Chemical Name:
Benzaldehyde, 2-(3-pyridinyl)-
CAS Number:
176690-44-1
Molecular Formula:
C12H9NO
Molecular Weight:
183.2060
MDL Number:
MFCD02684097
IUPAC Name:
2-pyridin-3-ylbenzaldehyde
InChI:
InChI=1S/C12H9NO/c14-9-11-4-1-2-6-12(11)10-5-3-7-13-8-10/h1-9H
InChI Key:
DTUANRRVVJRTJS-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1c1cccnc1
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:
1.9
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