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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:73511 - hex-5-ynoic acid
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ChEBI Name
hex-5-ynoic acid
ChEBI ID
CHEBI:73511
Definition
A hexynoic acid in which the triple bond is between the carbons at positions 5 and 6.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C6H8O2
Net Charge
0
Average Mass
112.12650
Monoisotopic Mass
112.05243
InChI
InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h1H,3-5H2,(H,7,8)
InChIKey
VPFMEXRVUOPYRG-UHFFFAOYSA-N
SMILES
OC(=O)CCCC#C
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
hex-5-ynoic acid (
CHEBI:73511
)
is a
hexynoic acid (
CHEBI:48444
)
hex-5-ynoic acid (
CHEBI:73511
)
is a
terminal acetylenic compound (
CHEBI:73477
)
IUPAC Name
hex-5-ynoic acid
Synonym
Source
5-hexynoic acid
ChEBI
Registry Numbers
Types
Sources
1743192
Reaxys Registry Number
Reaxys
53293-00-8
CAS Registry Number
NIST Chemistry WebBook
53293-00-8
CAS Registry Number
ChemIDplus
Citations
Types
Sources
22043242
PubMed citation
Europe PMC
22043853
PubMed citation
Europe PMC
22840013
PubMed citation
Europe PMC
Last Modified
03 May 2013