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Home > Aldehydes > 114077-83-7
114077-83-7 | 3-Pyridinecarboxaldehyde, 4-phenoxy-
CAS No: 114077-83-7 Catalog No: AG000AH7 MDL No:
Product Description
Catalog Number:
AG000AH7
Chemical Name:
3-Pyridinecarboxaldehyde, 4-phenoxy-
CAS Number:
114077-83-7
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
IUPAC Name:
4-phenoxypyridine-3-carbaldehyde
InChI:
InChI=1S/C12H9NO2/c14-9-10-8-13-7-6-12(10)15-11-4-2-1-3-5-11/h1-9H
InChI Key:
CXMWJRUSNAAKCG-UHFFFAOYSA-N
SMILES:
O=Cc1cnccc1Oc1ccccc1
Properties
Complexity:
202
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:
0
Isotope Atom Count:
0
Molecular Weight:
199.209g/mol
Monoisotopic Mass:
199.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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