200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1261991-78-9
1261991-78-9 | 4-Pyridinecarboxylic acid, 3-[3-(hydroxymethyl)phenyl]-
CAS No: 1261991-78-9 Catalog No: AG000SBM MDL No:MFCD18316924
Product Description
Catalog Number:
AG000SBM
Chemical Name:
4-Pyridinecarboxylic acid, 3-[3-(hydroxymethyl)phenyl]-
CAS Number:
1261991-78-9
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD18316924
IUPAC Name:
3-[3-(hydroxymethyl)phenyl]pyridine-4-carboxylic acid
InChI:
InChI=1S/C13H11NO3/c15-8-9-2-1-3-10(6-9)12-7-14-5-4-11(12)13(16)17/h1-7,15H,8H2,(H,16,17)
InChI Key:
YTODBIIMKRCNKY-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)c1cnccc1C(=O)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.