9-Undecynoic acid - CAS 22202-65-9

Catalog:	BB017449
Product Name:	9-Undecynoic acid
CAS:	22202-65-9
Synonyms:	undec-9-ynoic acid

Technical Data

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Computed Properties

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

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

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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

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