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 |
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 |
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 |
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 |
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 |
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