1H-Benzimidazole-4-carboxylic Acid - CAS 46006-36-4
Catalog: |
BB026052 |
Product Name: |
1H-Benzimidazole-4-carboxylic Acid |
CAS: |
46006-36-4 |
Synonyms: |
1H-benzimidazole-4-carboxylic acid; 1H-benzimidazole-4-carboxylic acid |
IUPAC Name: | 1H-benzimidazole-4-carboxylic acid |
Description: | 1H-Benzimidazole-4-carboxylic Acid (CAS# 46006-36-4) is a useful research chemical. |
Molecular Weight: | 162.15 |
Molecular Formula: | C8H6N2O2 |
Canonical SMILES: | C1=CC(=C2C(=C1)NC=N2)C(=O)O |
InChI: | InChI=1S/C8H6N2O2/c11-8(12)5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)(H,11,12) |
InChI Key: | VVQNAFBGAWCMLU-UHFFFAOYSA-N |
Boiling Point: | 542.5 ℃ at 760 mmHg |
Density: | 1.506 g/cm3 |
MDL: | MFCD01823426 |
LogP: | 1.26110 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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WO-2020216378-A1 | Heterocyclic compound, application thereof, and composition containing same | 20190426 |
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Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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