3-Ethynylindole - CAS 62365-78-0

Catalog:	BB031558
Product Name:	3-Ethynylindole
CAS:	62365-78-0
Synonyms:	3-ethynyl-1H-indole; 3-ethynyl-1H-indole

Technical Data

Patents

Computed Properties

IUPAC Name:	3-ethynyl-1H-indole
Description:	3-Ethynylindole (CAS# 62365-78-0) is a useful research chemical.
Molecular Weight:	141.17
Molecular Formula:	C10H7N
Canonical SMILES:	C#CC1=CNC2=CC=CC=C21
InChI:	InChI=1S/C10H7N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h1,3-7,11H
InChI Key:	UJJFTIBNCODKOS-UHFFFAOYSA-N
LogP:	2.14920

Publication Number	Title	Priority Date
WO-2020258893-A1	A formulation of a conjugate of a tubulysin analog to a cell-binding molecule	20190624
WO-2020155017-A1	A conjugate of an amanita toxin with branched linkers	20190131
CN-111378138-A	Combined energy absorption method and application thereof	20190101
CN-111378159-A	Energy absorption method and material based on hybrid cross-linked dynamic polymer	20190101
CN-111378169-A	Force-induced response hybrid crosslinked dynamic polymer	20190101

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Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.057849228
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	141.057849228
Rotatable Bond Count:	1
Topological Polar Surface Area:	15.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5