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253801-11-5 | 4-(3-Cyanopyridin-2-yl)benzaldehyde
CAS No: 253801-11-5 Catalog No: AG00BG6B MDL No:MFCD06200959
Product Description
Catalog Number:
AG00BG6B
Chemical Name:
4-(3-Cyanopyridin-2-yl)benzaldehyde
CAS Number:
253801-11-5
Molecular Formula:
C13H8N2O
Molecular Weight:
208.2154
MDL Number:
MFCD06200959
IUPAC Name:
2-(4-formylphenyl)pyridine-4-carbonitrile
InChI:
InChI=1S/C13H8N2O/c14-8-11-5-6-15-13(7-11)12-3-1-10(9-16)2-4-12/h1-7,9H
InChI Key:
UEHUHSUVKRLJGM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1nccc(c1)C#N
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.22g/mol
Monoisotopic Mass:
208.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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