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2-(2-Isobutyl-1H-benzimidazol-1-yl)propanoic acid
[CAS# 892241-05-3]

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Identification
Name 2-(2-Isobutyl-1H-benzimidazol-1-yl)propanoic acid
Molecular Structure CAS#: 892241-05-3, 2-(2-Isobutyl-1H-benzimidazol-1-yl)propanoic acid
Molecular Formula C14H18N2O2
Molecular Weight 246.30
CAS Registry Number 892241-05-3
SMILES O=C(O)C(n1c2ccccc2nc1CC(C)C)C
InChI 1S/C14H18N2O2/c1-9(2)8-13-15-11-6-4-5-7-12(11)16(13)10(3)14(17)18/h4-7,9-10H,8H2,1-3H3,(H,17,18)
InChIKey XXBJTNCYZOPXBL-UHFFFAOYSA-N
Properties
Density 1.182g/cm3 (Cal.)
Boiling point 433.886°C at 760 mmHg (Cal.)
Flash point 216.206°C (Cal.)
Refractive index 1.588 (Cal.)
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