3-(3,4-Methylenedioxyphenyl)propionic acid - CAS 2815-95-4
Catalog: |
BB019777 |
Product Name: |
3-(3,4-Methylenedioxyphenyl)propionic acid |
CAS: |
2815-95-4 |
Synonyms: |
3-(1,3-benzodioxol-5-yl)propanoic acid |
IUPAC Name: | 3-(1,3-benzodioxol-5-yl)propanoic acid |
Description: | Substituted cinnamic and dihydrocinnamic acids show anti-inflammatory and analgesic activity, with cinnamic acids being more biologically active. |
Molecular Weight: | 194.18 |
Molecular Formula: | C10H10O4 |
Canonical SMILES: | C1OC2=C(O1)C=C(C=C2)CCC(=O)O |
InChI: | InChI=1S/C10H10O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1,3,5H,2,4,6H2,(H,11,12) |
InChI Key: | UIYJGLLTSVRSBM-UHFFFAOYSA-N |
Boiling Point: | 349 ℃ at 760 mmHg |
Density: | 1.343 g/cm3 |
Solubility: | Soluble in chloroform and ethyl acetate. |
Appearance: | Grey solid |
MDL: | MFCD00016909 |
LogP: | 1.43250 |
GHS Hazard Statement: | H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112979625-A | Synthesis method and application of piperlongumine | 20210203 |
WO-2021118827-A1 | Visible-light mediated organophotoredox catalytic deuteration of aromatic and aliphatic aldehydes | 20191211 |
US-2021060042-A1 | Patentiflorin A Analogs as Antiviral Agents | 20190826 |
US-2020241414-A1 | Resist composition and patterning process | 20190129 |
US-2020192222-A1 | Resist composition and patterning process | 20181218 |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.05790880 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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