4-(3-Methoxypropoxy)benzoic acid - CAS 946707-55-7
Catalog: |
BB075897 |
Product Name: |
4-(3-Methoxypropoxy)benzoic acid |
CAS: |
946707-55-7 |
Synonyms: |
4-(3-methoxypropoxy)benzoic acid; 4-(3-methoxypropoxy)benzoicacid |
IUPAC Name: | 4-(3-methoxypropoxy)benzoic acid |
Description: | 4-(3-Methoxypropoxy)benzoic acid |
Molecular Weight: | 210.23 |
Molecular Formula: | C11H14O4 |
Canonical SMILES: | COCCCOC1=CC=C(C=C1)C(=O)O |
InChI: | InChI=1S/C11H14O4/c1-14-7-2-8-15-10-5-3-9(4-6-10)11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13) |
InChI Key: | CHURMVNLEIRYIC-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
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: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.08920892 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 55.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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