Home Other Building Blocks 3-(3-Hydroxymethylphenyl)isonicotinic acid

3-(3-Hydroxymethylphenyl)isonicotinic acid

CAS No.:
1261991-78-9
Catalog Number:
AG000SBM
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
In Stock USA
United States
$138
- +
250mg
97%
In Stock USA
United States
$275
- +
1g
97%
In Stock USA
United States
$657
- +
Product Description
Catalog Number:
AG000SBM
Chemical Name:
3-(3-Hydroxymethylphenyl)isonicotinic acid
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  
Properties