Cyclopentylacetylene - CAS 930-51-8

Catalog:	BB040754
Product Name:	Cyclopentylacetylene
CAS:	930-51-8
Synonyms:	ethynylcyclopentane

Technical Data

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Computed Properties

IUPAC Name:	ethynylcyclopentane
Description:	Cyclopentylacetylene (CAS# 930-51-8) is a useful research chemical.
Molecular Weight:	94.15
Molecular Formula:	C7H10
Canonical SMILES:	C#CC1CCCC1
InChI:	InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h1,7H,3-6H2
InChI Key:	TXVJSWLZYQMWPC-UHFFFAOYSA-N
Boiling Point:	98 ℃ at 760 mmHg
Purity:	95 %
Density:	0.812 g/mL at 25 ℃ (lit.)
Storage:	Flammables area
MDL:	MFCD00013744
LogP:	1.80980

Publication Number	Title	Priority Date
CN-113248455-A	3, 5-disubstituted isoxazole derivatives and synthesis method thereof	20210525
CN-113292561-A	Compound with dipyrrolopyridine structure, preparation method and medical application	20210522
JP-2021138690-A	Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof	20200228
WO-2021154902-A1	Collagen 1 translation inhibitors and methods of use thereof	20200130
CN-112778156-A	Bishydrazide structure compound, preparation method and application thereof	20191108

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	87.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	94.078250319
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	94.078250319
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5