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1-(2-Furyl)but-3-yn-1-ol

HCID 10909623
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C#CCC(O)c1ccco1
InChIKey
HMTYJEBHTKFYGP-UHFFFAOYSA-N
Molecular formula
C8H8O2
Average molar mass
136.15 g/mol
Monoisotopic mass
136.05242949

Names & identifiers

Preferred name
1-(2-Furyl)but-3-yn-1-ol
IUPAC
1-(furan-2-yl)but-3-yn-1-ol

Names & synonyms

1-(2-furyl)but-3-yn-1-olSCHEMBL62805102-(1-hydroxy-3-butynyl)furan2-(1-hydroxy-3-butynyl)-furanHMTYJEBHTKFYGP-UHFFFAOYSA-NAlpha-2-propyn-1-yl-2-furanmethanolAKOS0120098621743-32-4DB-208222

Database identifiers

PubChem CID
10909623
Nikkaji
J974.300F

Properties

Computed structural propertiesFilling in

XLogP
0.7
Topological polar surface area
33.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
10
Formal charge
0
Complexity
145

Related reactions

5 records
New reaction record
HRID 98991 reaction equation
HRID 98991As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1032490 reaction equation
HRID 1032490As productuspto-grants-1990_09
HRID 1085313 reaction equation
HRID 1085313As productuspto-grants-1991_04
HRID 1085314 reaction equation
HRID 1085314As productuspto-grants-1991_04
HRID 1814897 reaction equation
HRID 1814897As reactantuspto-grants-2005_04

Compound notes

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