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Home > Imidazoles > 1083246-45-0
1083246-45-0 | 3-(1-METHYL-1H-IMIDAZOL-2-YL)BENZOIC ACID
CAS No: 1083246-45-0 Catalog No: AG01CA0C MDL No:MFCD19621620
Product Description
Catalog Number:
AG01CA0C
Chemical Name:
3-(1-METHYL-1H-IMIDAZOL-2-YL)BENZOIC ACID
CAS Number:
1083246-45-0
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD19621620
IUPAC Name:
3-(1-methylimidazol-2-yl)benzoic acid
InChI:
InChI=1S/C11H10N2O2/c1-13-6-5-12-10(13)8-3-2-4-9(7-8)11(14)15/h2-7H,1H3,(H,14,15)
InChI Key:
QZOOTRUVGBXIIG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1nccn1C
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:
1.2
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