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Home > Aldehydes > 1261909-98-1
1261909-98-1 | Benzaldehyde, 3-(4-hydroxy-2-pyridinyl)-
CAS No: 1261909-98-1 Catalog No: AG000S5A MDL No:MFCD18323337
Product Description
Catalog Number:
AG000S5A
Chemical Name:
Benzaldehyde, 3-(4-hydroxy-2-pyridinyl)-
CAS Number:
1261909-98-1
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
MDL Number:
MFCD18323337
IUPAC Name:
3-(4-oxo-1H-pyridin-2-yl)benzaldehyde
InChI:
InChI=1S/C12H9NO2/c14-8-9-2-1-3-10(6-9)12-7-11(15)4-5-13-12/h1-8H,(H,13,15)
InChI Key:
MBTFNCZCDSZZTL-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1nccc(c1)O
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.209g/mol
Monoisotopic Mass:
199.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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