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Home > Imidazoles > 1250836-32-8
1250836-32-8 | 2-(1H-imidazol-1-yl)-5-methylbenzoic acid
CAS No: 1250836-32-8 Catalog No: AG01AHPL MDL No:MFCD16783191
Product Description
Catalog Number:
AG01AHPL
Chemical Name:
2-(1H-imidazol-1-yl)-5-methylbenzoic acid
CAS Number:
1250836-32-8
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD16783191
IUPAC Name:
2-imidazol-1-yl-5-methylbenzoic acid
InChI:
InChI=1S/C11H10N2O2/c1-8-2-3-10(9(6-8)11(14)15)13-5-4-12-7-13/h2-7H,1H3,(H,14,15)
InChI Key:
LGYWONXHPYENRN-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)O)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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