4-(Cyclopentyloxy)benzoic acid - CAS 30762-02-8
Catalog: |
BB042629 |
Product Name: |
4-(Cyclopentyloxy)benzoic acid |
CAS: |
30762-02-8 |
Synonyms: |
Benzoic acid, 4-(cyclopentyloxy)-; p-cyclopentyloxybenzoic acid |
IUPAC Name: | 4-cyclopentyloxybenzoic acid |
Description: | 4-(Cyclopentyloxy)benzoic acid (CAS# 30762-02-8 ) is a useful research chemical. |
Molecular Weight: | 206.24 |
Molecular Formula: | C12H14O3 |
Canonical SMILES: | C1CCC(C1)OC2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C12H14O3/c13-12(14)9-5-7-11(8-6-9)15-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,13,14) |
InChI Key: | NSTJDFGPPOXIAT-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: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.094294304 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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