4-(2,5-Dimethoxyphenyl)butyric acid - CAS 1083-11-0
Catalog: |
BB002242 |
Product Name: |
4-(2,5-Dimethoxyphenyl)butyric acid |
CAS: |
1083-11-0 |
Synonyms: |
4-(2,5-dimethoxyphenyl)butanoic acid |
IUPAC Name: | 4-(2,5-dimethoxyphenyl)butanoic acid |
Description: | 4-(2,5-Dimethoxyphenyl)butyric acid (CAS# 1083-11-0) is a useful research chemical. |
Molecular Weight: | 224.25 |
Molecular Formula: | C12H16O4 |
Canonical SMILES: | COC1=CC(=C(C=C1)OC)CCCC(=O)O |
InChI: | InChI=1S/C12H16O4/c1-15-10-6-7-11(16-2)9(8-10)4-3-5-12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14) |
InChI Key: | KDKKXQVDSWSPEE-UHFFFAOYSA-N |
Boiling Point: | 368.7 °C at 760 mmHg |
Melting Point: | 67-71 °C (lit.) |
Purity: | 95 % |
Density: | 1.133 g/cm3 |
Appearance: | White to tan crystalline powder |
MDL: | MFCD03701611 |
LogP: | 2.11110 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P351+P338, and P337+P317 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-103012360-B | Snail dinaphthalene compound, preparation method and application thereof | 20121228 |
CN-101792116-B | Method for preparing carboxylic acid-chemically modified metal oxide nanoparticles | 20090525 |
KR-101096427-B1 | Novel 4-aryl-4-oxobutanoic acid amide derivatives or pharmaceutically acceptable salts thereof, preparation methods thereof, and pharmaceutical compositions containing the same as active ingredients | 20081020 |
KR-20100043311-A | Novel 4-aryl-4-oxobutanoic acid amide derivatives or pharmaceutically acceptable salts thereof, preparation methods thereof, and pharmaceutical compositions containing the same as active ingredients | 20081020 |
JP-2009155273-A | Method for producing cyclic ketone | 20071227 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.10485899 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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