2-Hexynoic acid - CAS 764-33-0

Catalog:	BB035571
Product Name:	2-Hexynoic acid
CAS:	764-33-0
Synonyms:	hex-2-ynoic acid

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Computed Properties

IUPAC Name:	hex-2-ynoic acid
Description:	2-Hexynoic acid (CAS# 764-33-0) is a useful research chemical.
Molecular Weight:	112.13
Molecular Formula:	C6H8O2
Canonical SMILES:	CCCC#CC(=O)O
InChI:	InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-3H2,1H3,(H,7,8)
InChI Key:	AKYAUBWOTZJUBI-UHFFFAOYSA-N
Boiling Point:	116 °C (13 torr)
Purity:	> 95.0 % (T)
Density:	0.992 g/mL at 25 °C
Appearance:	Colorless liquid
LogP:	0.87450

Publication Number	Title	Priority Date
CN-113069555-A	Bispecific glycopeptide nano molecule and preparation method and application thereof	20210412
CN-112972424-A	Anti-tumor polypeptide nano-drug and preparation method and application thereof	20210319
CN-112979731-A	Living body self-assembly MRI (magnetic resonance imaging) imaging probe and preparation method and application thereof	20210218
EP-3889155-A1	Biomimetic g-quartet compounds	20200331
WO-2021198239-A1	Biomimetic g-quartet compounds	20200331

PMID	Publication Date	Title	Journal
20121074	20100217	Polyamidoamine (PAMAM) dendrimer conjugates of 'clickable' agonists of the A3 adenosine receptor and coactivation of the P2Y14 receptor by a tethered nucleotide	Bioconjugate chemistry

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GHS Hazard Statement:	H302 (86.36%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P280, P285, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P321, P330, P337+P313, P342+P311, P363, P405, and P501
Signal Word:	Danger

Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.052429494
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	112.052429494
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8