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232602-26-5 | 2-[(4-methylphenyl)methyl]pyridine-3-carbaldehyde
CAS No: 232602-26-5 Catalog No: AG01BVY7 MDL No:MFCD30476580
Product Description
Catalog Number:
AG01BVY7
Chemical Name:
2-[(4-methylphenyl)methyl]pyridine-3-carbaldehyde
CAS Number:
232602-26-5
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
MDL Number:
MFCD30476580
IUPAC Name:
2-[(4-methylphenyl)methyl]pyridine-3-carbaldehyde
InChI:
InChI=1S/C14H13NO/c1-11-4-6-12(7-5-11)9-14-13(10-16)3-2-8-15-14/h2-8,10H,9H2,1H3
InChI Key:
YJSVPSIQBPRSFA-UHFFFAOYSA-N
SMILES:
O=Cc1cccnc1Cc1ccc(cc1)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.264g/mol
Monoisotopic Mass:
211.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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