3-(4-Methoxybenzoyl)propionic acid - CAS 3153-44-4
Catalog: |
BB020965 |
Product Name: |
3-(4-Methoxybenzoyl)propionic acid |
CAS: |
3153-44-4 |
Synonyms: |
4-(4-methoxyphenyl)-4-oxobutanoic acid |
IUPAC Name: | 4-(4-methoxyphenyl)-4-oxobutanoic acid |
Description: | 3-(4-Methoxybenzoyl)propionic acid (CAS# 3153-44-4) is a useful research chemical. |
Molecular Weight: | 208.21 |
Molecular Formula: | C11H12O4 |
Canonical SMILES: | COC1=CC=C(C=C1)C(=O)CCC(=O)O |
InChI: | InChI=1S/C11H12O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14) |
InChI Key: | OMTDIBZSUZNVJK-UHFFFAOYSA-N |
Boiling Point: | 419.5 °C at 760 mmHg |
Melting Point: | 148-150 °C |
Purity: | 97 % |
Density: | 1.206 g/cm3 |
Appearance: | White to yellow to orange powder, crystals, or chunks |
MDL: | MFCD00002795 |
LogP: | 1.74270 |
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 |
21581361 | 20081120 | Methyl 3-(4-methoxy-benzo-yl)propionate | Acta crystallographica. Section E, Structure reports online |
18939806 | 20081118 | Fabrication of DNA nanowires by orthogonal self-assembly and DNA intercalation on a Au patterned Si/SiO2 surface | Langmuir : the ACS journal of surfaces and colloids |
21581055 | 20081025 | 3-(4-Methoxy-benzo-yl)propionic acid | Acta crystallographica. Section E, Structure reports online |
Complexity: | 229 |
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: | 5 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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