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15760-36-8

Basic Information
CAS No.: 15760-36-8
Name: 3-METHYLENECYCLOBUTANECARBOXYLIC ACID
Article Data: 44
Molecular Structure:
Molecular Structure of 15760-36-8 (3-METHYLENECYCLOBUTANECARBOXYLIC ACID)
Formula: C6H8O2
Molecular Weight: 112.128
Synonyms: 3-Methylenecyclobutylcarboxylic acid;
Density: 1.127 g/cm3
Boiling Point: 218.636 °C at 760 mmHg
Flash Point: 97.455 °C
Hazard Symbols: FlammableF
Risk Codes:  F:;
">  F:;
PSA: 37.30000
LogP: 1.03720
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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,