200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 883542-28-7
883542-28-7 | 3-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid
CAS No: 883542-28-7 Catalog No: AG01EY6G MDL No:
Product Description
Catalog Number:
AG01EY6G
Chemical Name:
3-(2-Methyl-imidazol-1-ylmethyl)-benzoic acid
CAS Number:
883542-28-7
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
3-[(2-methylimidazol-1-yl)methyl]benzoic acid
InChI:
InChI=1S/C12H12N2O2/c1-9-13-5-6-14(9)8-10-3-2-4-11(7-10)12(15)16/h2-7H,8H2,1H3,(H,15,16)
InChI Key:
QTIRBHOSDDRFBE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)Cn1ccnc1C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.