Cyclopropylacetic acid - CAS 5239-82-7

Name: Cyclopropylacetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	2-cyclopropylacetic acid
Description:	Cyclopropylacetic acid (CAS# 5239-82-7) is used in the synthesis of many organic compounds. Such compounds include Cyproconazole which is an agricultural fungicide and also in synthesis of potent nicotinic acid receptor agonists used in treatment of Dyslipidemia.
Molecular Weight:	100.12
Molecular Formula:	C5H8O2
Canonical SMILES:	C1CC1CC(=O)O
InChI:	InChI=1S/C5H8O2/c6-5(7)3-4-1-2-4/h4H,1-3H2,(H,6,7)
InChI Key:	KVVDRQDTODKIJD-UHFFFAOYSA-N
Boiling Point:	191.7 °C at 760 mmHg
Density:	1.076 g/cm³
Appearance:	Colorless to light yellow liquid
MDL:	MFCD00041544
LogP:	0.87110

GHS Hazard Statement:	H302 (87.23%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2016016903-A1	Substituted Azaspiro(4.5)Decane Derivatives	20140715
WO-2015189080-A1	Pesticidally active mixtures	20140612
WO-2015176035-A1	Î±4Î²7 INTEGRIN THIOETHER PEPTIDE ANTAGONISTS	20140516
US-2015307493-A1	1H-PYRROLO[2,3-c]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-c]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS	20140423
WO-2015164480-A1	1H-PYRROLO[2,3-c]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-c]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS	20140423

Complexity:	84.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	100.052429494
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	100.052429494
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8