9-Undecynoic acid - CAS 22202-65-9
Catalog: |
BB017449 |
Product Name: |
9-Undecynoic acid |
CAS: |
22202-65-9 |
Synonyms: |
undec-9-ynoic acid |
IUPAC Name: | undec-9-ynoic acid |
Description: | A lipophilic acid that may possess antimicrobial activity. |
Molecular Weight: | 182.26 |
Molecular Formula: | C11H18O2 |
Canonical SMILES: | CC#CCCCCCCCC(=O)O |
InChI: | InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h4-10H2,1H3,(H,12,13) |
InChI Key: | ZOYDMFOVPQMSPJ-UHFFFAOYSA-N |
Boiling Point: | 299.6 °C at 760 mmHg |
Melting Point: | 56-60 °C |
Purity: | 95 % |
Density: | 0.969 g/cm3 |
MDL: | MFCD00778750 |
LogP: | 2.82500 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019171285-A1 | Compounds useful in hiv therapy | 20180307 |
US-2020407393-A1 | Medical Use | 20180307 |
EP-3762396-A1 | Compounds useful in hiv therapy | 20180307 |
EP-2408793-A1 | Method for surface functionalisation by disubstituted alkynes | 20090318 |
EP-2408793-B1 | Method for surface functionalisation by disubstituted alkynes | 20090318 |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.130679813 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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