3-Ethoxybenzoic acid - CAS 621-51-2
Catalog: |
BB031444 |
Product Name: |
3-Ethoxybenzoic acid |
CAS: |
621-51-2 |
Synonyms: |
3-ethoxybenzoic acid |
IUPAC Name: | 3-ethoxybenzoic acid |
Description: | 3-Ethoxybenzoic acid (CAS# 621-51-2) is a useful research chemical. |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | CCOC1=CC=CC(=C1)C(=O)O |
InChI: | InChI=1S/C9H10O3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11) |
InChI Key: | DTFQMPQJMDEWKJ-UHFFFAOYSA-N |
Boiling Point: | 305.7 °C at 760 mmHg |
Melting Point: | 136-140 °C |
Purity: | 95 % |
Density: | 1.166 g/cm3 |
Appearance: | White to yellow powder or crystals |
MDL: | MFCD00016517 |
LogP: | 1.78350 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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