3-Methylenecyclobutanecarboxylic acid supplier

Name
3-METHYLENECYCLOBUTANECARBOXYLIC ACID
EINECS
CAS No. 15760-36-8
Article Data44
CAS DataBase
Density 1.127 g/cm³
Solubility
Melting Point
Formula C₆H₈O₂
Boiling Point 218.636 °C at 760 mmHg
Molecular Weight 112.128
Flash Point 97.455 °C
Transport Information
Appearance
Safety
Risk Codes F:;
Molecular Structure
Hazard Symbols F
Synonyms 3-Methylenecyclobutylcarboxylic acid;
PSA 37.30000
LogP 1.03720

3-Methylenecyclobutanecarboxylic acid Specification

The Cyclobutanecarboxylicacid, 3-methylene- is an organic compound with the formula C₆H₈O₂. The IUPAC name of this chemical is 3-Methylidenecyclobutane-1-carboxylic acid. With the CAS registry number 15760-36-8, it is also named as 3-Methylene-cyclobutanecarboxylic acid. The product's categories are Carboxylic Acids; Ring Systems. Besides, its molecular weight is 112.13.

Physical properties about Cyclobutanecarboxylicacid, 3-methylene- are: (1)ACD/LogP: 0.96; (2)ACD/LogD (pH 5.5): -0.06; (3)ACD/LogD (pH 7.4): -1.87; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.54; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.493; (13)Molar Refractivity: 28.94 cm³; (14)Molar Volume: 99.5 cm³; (15)Polarizability: 11.47×10^-24 cm³; (16)Surface Tension: 37.4 dyne/cm; (17)Density: 1.12 g/cm³; (18)Flash Point: 97.5 °C; (19)Enthalpy of Vaporization: 50.14 kJ/mol; (20)Boiling Point: 218.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0472 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H8O2/c1-4-2-5(3-4)6(7)8/h5H,1-3H2,(H,7,8)
(2)InChIKey: NNKLICLIBKMDOY-UHFFFAOYAH
(3)Std. InChI: InChI=1S/C6H8O2/c1-4-2-5(3-4)6(7)8/h5H,1-3H2,(H,7,8)
(4)Std. InChIKey: NNKLICLIBKMDOY-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	500mg/kg (500mg/kg)		National Technical Information Service. Vol. AD430-559,

Product Name

3-METHYLENECYCLOBUTANECARBOXYLIC ACID

3-Methylenecyclobutanecarboxylic acid Specification

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