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1261269-06-0 | Benzoic acid, 3-(1-methyl-1H-imidazol-5-yl)-
CAS No: 1261269-06-0 Catalog No: AG000RPX MDL No:MFCD18375276
Product Description
Catalog Number:
AG000RPX
Chemical Name:
Benzoic acid, 3-(1-methyl-1H-imidazol-5-yl)-
CAS Number:
1261269-06-0
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD18375276
IUPAC Name:
3-(3-methylimidazol-4-yl)benzoic acid
InChI:
InChI=1S/C11H10N2O2/c1-13-7-12-6-10(13)8-3-2-4-9(5-8)11(14)15/h2-7H,1H3,(H,14,15)
InChI Key:
CCTCZHDQSJKDGB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1cncn1C
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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