2-(4-Propylphenoxy)propanoic acid - CAS 25141-02-0
Catalog: |
BB042492 |
Product Name: |
2-(4-Propylphenoxy)propanoic acid |
CAS: |
25141-02-0 |
Synonyms: |
2-(4-Propyl-phenoxy)-propionic acid; EN300-92451; SCHEMBL10207291 |
IUPAC Name: | 2-(4-propylphenoxy)propanoic acid |
Description: | 2-(4-Propylphenoxy)propanoic acid (CAS# 25141-02-0 ) is a useful research chemical. |
Molecular Weight: | 208.25 |
Molecular Formula: | C12H16O3 |
Canonical SMILES: | CCCC1=CC=C(C=C1)OC(C)C(=O)O |
InChI: | InChI=1S/C12H16O3/c1-3-4-10-5-7-11(8-6-10)15-9(2)12(13)14/h5-9H,3-4H2,1-2H3,(H,13,14) |
InChI Key: | BCGAQLXZWYPDCJ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.109944368 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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