(2-Methyl-1H-benzimidazol-5-yl)acetic Acid - CAS 114402-92-5

Name: (2-Methyl-1H-benzimidazol-5-yl)acetic Acid
Brand: BOC Sciences
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Catalog:	BB059541
Product Name:	(2-Methyl-1H-benzimidazol-5-yl)acetic Acid
CAS:	114402-92-5
Synonyms:	2-Methyl-1H-benzimidazole-6-acetic Acid; (2-Methyl-1H-benzimidazol-5-yl)acetic Acid; 2-(2-Methyl-1H-1,3-benzodiazol-5-yl)acetic Acid; 2-(2-Methyl-1H-1,3-benzodiazol-6-yl)acetic Acid

Technical Data

IUPAC Name:	2-(2-methyl-3H-benzimidazol-5-yl)acetic acid
Description:	(2-Methyl-1H-benzimidazol-5-yl)acetic Acid is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	190.19
Molecular Formula:	C10H10N2O2
Canonical SMILES:	CC1=NC2=C(N1)C=C(C=C2)CC(=O)O
InChI:	InChI=1S/C10H10N2O2/c1-6-11-8-3-2-7(5-10(13)14)4-9(8)12-6/h2-4H,5H2,1H3,(H,11,12)(H,13,14)
InChI Key:	KFTOKXRMVWZJHK-UHFFFAOYSA-N
References:	Bloch, J. J. J. Soc. Chem. Ind. Lond., 38, 118 (1919).

Complexity:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.074227566
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	190.074227566
Rotatable Bond Count:	2
Topological Polar Surface Area:	66Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3