2-Methyl-3-[(3,4-methylenedioxy)phenyl]propionic acid - CAS 77269-66-0
Catalog: |
BB050023 |
Product Name: |
2-Methyl-3-[(3,4-methylenedioxy)phenyl]propionic acid |
CAS: |
77269-66-0 |
Synonyms: |
3-(2H-1,3-benzodioxol-5-yl)-2-methylpropanoic acid; 3-(Benzo[d][1,3]dioxol-5-yl)-2-methylpropanoic acid; 3-(2H-benzo[d]1,3-dioxolen-5-yl)-2-methylpropanoic acid; alpha-Methyl-1,3-benzodioxole-5-propionic acid |
IUPAC Name: | 3-(1,3-benzodioxol-5-yl)-2-methylpropanoic acid |
Description: | 2-Methyl-3-[(3,4-methylenedioxy)phenyl]propionic acid (CAS# 77269-66-0 ) is a useful research chemical. |
Molecular Weight: | 208.21 |
Molecular Formula: | C11H12O4 |
Canonical SMILES: | CC(CC1=CC2=C(C=C1)OCO2)C(=O)O |
InChI: | InChI=1S/C11H12O4/c1-7(11(12)13)4-8-2-3-9-10(5-8)15-6-14-9/h2-3,5,7H,4,6H2,1H3,(H,12,13) |
InChI Key: | DBXAHUCZEXVUKS-UHFFFAOYSA-N |
Boiling Point: | 351.142 °C at 760 mmHg |
Melting Point: | 77-80 °C |
Purity: | 98 % |
Density: | 1.29 g/cm3 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.07355886 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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