200,000+ products from a single source!
sales@angenechem.com
88928-68-1 | 3-Pyridinecarboxylic acid, 1,2-dihydro-1-(phenylmethyl)-, methyl ester
CAS No: 88928-68-1 Catalog No: AG00487Q MDL No:
Product Description
Catalog Number:
AG00487Q
Chemical Name:
3-Pyridinecarboxylic acid, 1,2-dihydro-1-(phenylmethyl)-, methyl ester
CAS Number:
88928-68-1
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
IUPAC Name:
methyl 1-benzyl-2H-pyridine-3-carboxylate
InChI:
InChI=1S/C14H15NO2/c1-17-14(16)13-8-5-9-15(11-13)10-12-6-3-2-4-7-12/h2-9H,10-11H2,1H3
InChI Key:
SQOQQZFIWUSUAI-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CC=CN(C1)Cc1ccccc1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.