6-Ethyl-2-methylquinoline-3-carboxylic acid - CAS 92513-36-5
Catalog: |
BB040550 |
Product Name: |
6-Ethyl-2-methylquinoline-3-carboxylic acid |
CAS: |
92513-36-5 |
Synonyms: |
6-ethyl-2-methylquinoline-3-carboxylic acid |
IUPAC Name: | 6-ethyl-2-methylquinoline-3-carboxylic acid |
Description: | 6-Ethyl-2-methylquinoline-3-carboxylic acid (CAS# 92513-36-5) is a useful research chemical. |
Molecular Weight: | 215.25 |
Molecular Formula: | C13H13NO2 |
Canonical SMILES: | CCC1=CC2=CC(=C(N=C2C=C1)C)C(=O)O |
InChI: | InChI=1S/C13H13NO2/c1-3-9-4-5-12-10(6-9)7-11(13(15)16)8(2)14-12/h4-7H,3H2,1-2H3,(H,15,16) |
InChI Key: | WZUBVPVDDWQDFN-UHFFFAOYSA-N |
Boiling Point: | 367.2 °C at 760 mmHg |
Density: | 1.206 g/cm3 |
LogP: | 2.80380 |
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 |
Complexity: | 267 |
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: | 2 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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