2,7,8-Trimethylquinoline-3-carboxylic acid - CAS 92513-34-3
Catalog: |
BB040549 |
Product Name: |
2,7,8-Trimethylquinoline-3-carboxylic acid |
CAS: |
92513-34-3 |
Synonyms: |
2,7,8-trimethylquinoline-3-carboxylic acid |
IUPAC Name: | 2,7,8-trimethylquinoline-3-carboxylic acid |
Description: | 2,7,8-Trimethylquinoline-3-carboxylic acid (CAS# 92513-34-3) is a useful research chemical. |
Molecular Weight: | 215.25 |
Molecular Formula: | C13H13NO2 |
Canonical SMILES: | CC1=C(C2=NC(=C(C=C2C=C1)C(=O)O)C)C |
InChI: | InChI=1S/C13H13NO2/c1-7-4-5-10-6-11(13(15)16)9(3)14-12(10)8(7)2/h4-6H,1-3H3,(H,15,16) |
InChI Key: | KNGACCJHYQQKRJ-UHFFFAOYSA-N |
Boiling Point: | 375 °C at 760 mmHg |
Density: | 1.208 g/cm3 |
LogP: | 2.85820 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.094628657 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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