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Home > Imidazoles > 937026-26-1
937026-26-1 | 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzoic acid
CAS No: 937026-26-1 Catalog No: AG00H2HX MDL No:MFCD18906996
Product Description
Catalog Number:
AG00H2HX
Chemical Name:
3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzoic acid
CAS Number:
937026-26-1
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD18906996
IUPAC Name:
3-methoxy-4-(4-methylimidazol-1-yl)benzoic acid
InChI:
InChI=1S/C12H12N2O3/c1-8-6-14(7-13-8)10-4-3-9(12(15)16)5-11(10)17-2/h3-7H,1-2H3,(H,15,16)
InChI Key:
QUAJYVPPQOVWQY-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1n1cnc(c1)C)C(=O)O
Properties
Complexity:
285
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:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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