3,4-Diethoxybenzoic acid - CAS 5409-31-4
Catalog: |
BB028497 |
Product Name: |
3,4-Diethoxybenzoic acid |
CAS: |
5409-31-4 |
Synonyms: |
3,4-diethoxybenzoic acid |
IUPAC Name: | 3,4-diethoxybenzoic acid |
Description: | 3,4-Diethoxybenzoic acid (CAS# 5409-31-4) is a useful research chemical. |
Molecular Weight: | 210.23 |
Molecular Formula: | C11H14O4 |
Canonical SMILES: | CCOC1=C(C=C(C=C1)C(=O)O)OCC |
InChI: | InChI=1S/C11H14O4/c1-3-14-9-6-5-8(11(12)13)7-10(9)15-4-2/h5-7H,3-4H2,1-2H3,(H,12,13) |
InChI Key: | VVKCVAPLTRZJHH-UHFFFAOYSA-N |
Boiling Point: | 330.2 °C at 760 mmHg |
Density: | 1.148 g/cm3 |
Appearance: | White to off-white powder |
MDL: | MFCD00002504 |
LogP: | 2.18220 |
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 |
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PMID | Publication Date | Title | Journal |
22806740 | 20121001 | Biodegradation of drotaverine hydrochloride by free and immobilized cells of Rhodococcus rhodochrous IEGM 608 | World journal of microbiology & biotechnology |
12605679 | 20030101 | Cleavage of nonphenolic beta-1 diarylpropane lignin model dimers by manganese peroxidase from Phanerochaete chrysosporium | European journal of biochemistry |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.08920892 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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