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Home > Imidazoles > 1249328-87-7
1249328-87-7 | 4-(1H-imidazol-1-yl)-2-methylbenzoic acid
CAS No: 1249328-87-7 Catalog No: AG01BD5Y MDL No:MFCD16686646
Product Description
Catalog Number:
AG01BD5Y
Chemical Name:
4-(1H-imidazol-1-yl)-2-methylbenzoic acid
CAS Number:
1249328-87-7
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD16686646
IUPAC Name:
4-imidazol-1-yl-2-methylbenzoic acid
InChI:
InChI=1S/C11H10N2O2/c1-8-6-9(13-5-4-12-7-13)2-3-10(8)11(14)15/h2-7H,1H3,(H,14,15)
InChI Key:
DNXVJPKGBWVABF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1C)n1cncc1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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