4-(4-Phenylbutoxy)benzoic Acid - CAS 30131-16-9
Catalog: |
BB020462 |
Product Name: |
4-(4-Phenylbutoxy)benzoic Acid |
CAS: |
30131-16-9 |
Synonyms: |
4-(4-phenylbutoxy)benzoic acid; 4-(4-phenylbutoxy)benzoic acid |
IUPAC Name: | 4-(4-phenylbutoxy)benzoic acid |
Description: | 4-(4-Phenylbutoxy)benzoic Acid (CAS# 30131-16-9) is a useful research chemical. |
Molecular Weight: | 270.32 |
Molecular Formula: | C17H18O3 |
Canonical SMILES: | C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C17H18O3/c18-17(19)15-9-11-16(12-10-15)20-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2,(H,18,19) |
InChI Key: | XWCWFMQMZZPALR-UHFFFAOYSA-N |
Boiling Point: | 438 °C at 760 mmHg |
Density: | 1.122 g/cm3 |
LogP: | 3.78650 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111592451-A | Preparation method of 4- (4-phenylbutoxy) benzoic acid | 20200624 |
CN-111302930-A | Preparation method of p-phenylbutoxy benzoic acid | 20200312 |
CN-111410600-A | Preparation method of p-phenylbutoxy benzoic acid | 20200121 |
CN-112812077-A | Benzamide compound and preparation method, pharmaceutical composition and application thereof | 20191118 |
CN-108671957-A | One kind is for synthesizing 4-(4- phenylbutoxies) benzoic acid catalyst | 20180707 |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.125594432 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.125594432 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5 |
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