200,000+ products from a single source!
sales@angenechem.com
101977-74-6 | 3-Pyridinecarboxylic acid, carboxyphenylmethyl ester
CAS No: 101977-74-6 Catalog No: AG000655 MDL No:MFCD06804522
Product Description
Catalog Number:
AG000655
Chemical Name:
3-Pyridinecarboxylic acid, carboxyphenylmethyl ester
CAS Number:
101977-74-6
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
MDL Number:
MFCD06804522
IUPAC Name:
2-phenyl-2-(pyridine-3-carbonyloxy)acetic acid
InChI:
InChI=1S/C14H11NO4/c16-13(17)12(10-5-2-1-3-6-10)19-14(18)11-7-4-8-15-9-11/h1-9,12H,(H,16,17)
InChI Key:
AWUNQYSCRNDEPS-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)OC(c1ccccc1)C(=O)O
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.245g/mol
Monoisotopic Mass:
257.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.