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Home > Imidazoles > 1094451-54-3
1094451-54-3 | 4-[(1-methyl-1H-imidazol-2-yl)methoxy]benzoic acid
CAS No: 1094451-54-3 Catalog No: AG019UPL MDL No:MFCD11182272
Product Description
Catalog Number:
AG019UPL
Chemical Name:
4-[(1-methyl-1H-imidazol-2-yl)methoxy]benzoic acid
CAS Number:
1094451-54-3
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD11182272
IUPAC Name:
4-[(1-methylimidazol-2-yl)methoxy]benzoic acid
InChI:
InChI=1S/C12H12N2O3/c1-14-7-6-13-11(14)8-17-10-4-2-9(3-5-10)12(15)16/h2-7H,8H2,1H3,(H,15,16)
InChI Key:
FRSXOQOLPYKWIS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)OCc1nccn1C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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