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208190-04-9 | Benzaldehyde, 3-(4-pyridinyl)-
CAS No: 208190-04-9 Catalog No: AG002JK7 MDL No:MFCD02684105
Product Description
Catalog Number:
AG002JK7
Chemical Name:
Benzaldehyde, 3-(4-pyridinyl)-
CAS Number:
208190-04-9
Molecular Formula:
C12H9NO
Molecular Weight:
183.2060
MDL Number:
MFCD02684105
IUPAC Name:
3-pyridin-4-ylbenzaldehyde
InChI:
InChI=1S/C12H9NO/c14-9-10-2-1-3-12(8-10)11-4-6-13-7-5-11/h1-9H
InChI Key:
ANVUAAJNQXEBNM-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1ccncc1
Properties
Complexity:
187
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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