3-(3-Methoxyphenyl)propionic acid - CAS 10516-71-9
Catalog: |
BB001564 |
Product Name: |
3-(3-Methoxyphenyl)propionic acid |
CAS: |
10516-71-9 |
Synonyms: |
3-(3-methoxyphenyl)propanoic acid |
IUPAC Name: | 3-(3-methoxyphenyl)propanoic acid |
Description: | 3-(3-Methoxyphenyl)propionic acid (CAS# 10516-71-9) is a useful research chemical. |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | COC1=CC=CC(=C1)CCC(=O)O |
InChI: | InChI=1S/C10H12O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12) |
InChI Key: | BJJQJLOZWBZEGA-UHFFFAOYSA-N |
Boiling Point: | 318.1 °C at 760 mmHg |
Melting Point: | 43-45 °C |
Purity: | 95 % |
Density: | 1.144 g/cm3 |
Appearance: | White crystal |
MDL: | MFCD00014027 |
LogP: | 1.71240 |
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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Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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