Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl- supplier

Name
3-(carboxymethyl)-2,2-dimethylcyclobutanecarboxylic acid
EINECS
CAS No. 473-73-4
Article Data2
CAS DataBase
Density 1.21 g/cm³
Solubility
Melting Point
Formula C₉H₁₄O₄
Boiling Point 362.7 °C at 760 mmHg
Molecular Weight 186.208
Flash Point 187.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(Carboxymethyl)-2,2-dimethylcyclobutanecarboxylic acid;
PSA 74.60000
LogP 1.20800

Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl- Specification

The Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, with the CAS registry number 473-73-4, is also known as 3-(Carboxymethyl)-2,2-dimethylcyclobutanecarboxylic acid. This chemical's molecular formula is C₉H₁₄O₄ and molecular weight is 186.2051. What's more, its IUPAC name is 3-(Carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid. What's more, it should be stored in condition of cold and dry.

Physical properties about Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-l are: (1)ACD/LogP: 0.94; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.76; (4)ACD/LogD (pH 7.4): -3.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.53; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 44.76 cm³; (15)Molar Volume: 153.8 cm³; (16)Polarizability: 17.74×10^-24cm³; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 187.3 °C; (20)Enthalpy of Vaporization: 66.85 kJ/mol; (21)Boiling Point: 362.7 °C at 760 mmHg; (22)Vapour Pressure: 3.02E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC1CC(C(=O)O)C1(C)C
(2) InChI: InChI=1/C9H14O4/c1-9(2)5(4-7(10)11)3-6(9)8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)
(3) InChIKey: LEVONNIFUFSRKZ-UHFFFAOYAJ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	500mg/kg (500mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 227, 1954.

Product Name

3-(carboxymethyl)-2,2-dimethylcyclobutanecarboxylic acid

Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl- Specification

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