5-(3,4-dihydroxyphenyl)pentanoic Acid - CAS 31129-94-9
Catalog: |
BB067352 |
Product Name: |
5-(3,4-dihydroxyphenyl)pentanoic Acid |
CAS: |
31129-94-9 |
Synonyms: |
5-(3,4-dihydroxyphenyl)pentanoic acid; 3,4-Dihydroxyphenylvaleric acid; 5-(3,4-Dihydroxyphenyl)valeric acid; 5-(3',4'-Dihydroxyphenyl)-valeric acid; 5-34DiHydroxyPhenylValericAcid |
IUPAC Name: | 5-(3,4-dihydroxyphenyl)pentanoic acid |
Description: | 5-(3,4-dihydroxyphenyl)pentanoic Acid (cas# 31129-94-9) is a useful research chemical. |
Molecular Weight: | 210.23 |
Molecular Formula: | C11H14O4 |
Canonical SMILES: | C1=CC(=C(C=C1CCCCC(=O)O)O)O |
InChI: | InChI=1S/C11H14O4/c12-9-6-5-8(7-10(9)13)3-1-2-4-11(14)15/h5-7,12-13H,1-4H2,(H,14,15) |
InChI Key: | KTDWBJGUMIZRHU-UHFFFAOYSA-N |
Melting Point: | 93-95°C |
Solubility: | DMSO (Slightly) |
Appearance: | Light Grey Solid |
Storage: | 4°C, Inert atmosphere |
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: | 205 |
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: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.08920892 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 77.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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