2-(Hydroxymethyl)benzimidazole-6-carboxylic Acid - CAS 247128-20-7

Catalog:	BB018592
Product Name:	2-(Hydroxymethyl)benzimidazole-6-carboxylic Acid
CAS:	247128-20-7
Synonyms:	2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid; 2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid

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Computed Properties

IUPAC Name:	2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid
Description:	2-(Hydroxymethyl)benzimidazole-6-carboxylic Acid (CAS# 247128-20-7) is a useful research chemical.
Molecular Weight:	192.17
Molecular Formula:	C9H8N2O3
Canonical SMILES:	C1=CC2=C(C=C1C(=O)O)NC(=N2)CO
InChI:	InChI=1S/C9H8N2O3/c12-4-8-10-6-2-1-5(9(13)14)3-7(6)11-8/h1-3,12H,4H2,(H,10,11)(H,13,14)
InChI Key:	LIBZUTVUUNNXNP-UHFFFAOYSA-N
MDL:	MFCD00781818
LogP:	1.55540

Publication Number	Title	Priority Date
CN-104418839-A	Synthetic method of dabigatran etexilate	20130826
CN-104418839-B	The synthetic method of dabigatran etcxilate	20130826
WO-2015027893-A1	Dabigatran etexilate synthesizing method	20130826
KR-20130083545-A	Tire Tread Rubber Composition	20120113
WO-2008096129-A1	Nitrogen containing hetrocyclic compounds useful as bifunctional modulators of m3 receptors and beta- 2 receptors	20070207

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.05349212
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	192.05349212
Rotatable Bond Count:	2
Topological Polar Surface Area:	86.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6