7-Octynoic Acid - CAS 10297-09-3

Catalog:	BB000978
Product Name:	7-Octynoic Acid
CAS:	10297-09-3
Synonyms:	7-octynoic acid; oct-7-ynoic acid

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	oct-7-ynoic acid
Description:	7-Octynoic Acid (CAS# 10297-09-3) is a useful research chemical.
Molecular Weight:	140.18
Molecular Formula:	C8H12O2
Canonical SMILES:	C#CCCCCCC(=O)O
InChI:	InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h1H,3-7H2,(H,9,10)
InChI Key:	WJBHDZBQZOMDFF-UHFFFAOYSA-N
Solubility:	In DMSO: 150 mg/mL (1070.05 mM; Need ultrasonic) In H2O: 5 mg/mL (35.67 mM; Need ultrasonic)
Storage:	Pure form, -20°C, 3 years; 4°C, 2 years; In solvent, -80°C, 6 months; -20°C, 1 month
LogP:	1.65470

Publication Number	Title	Priority Date
WO-2021195481-A1	Small molecule stat protein degraders	20200326
JP-2021080183-A	New lysophosphatidic acid derivative	20191114
WO-2021021629-A1	Discovery, total synthesis, and bioactivity of doscadenamides	20190726
TW-202106676-A	Stat degraders and uses thereof	20190405
WO-2020198435-A1	Small molecule degraders of stat3	20190326

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.083729621
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.083729621
Rotatable Bond Count:	5
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2