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473-73-4

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Basic Information
CAS No.: 473-73-4
Name: 3-(carboxymethyl)-2,2-dimethylcyclobutanecarboxylic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 473-73-4 (3-(carboxymethyl)-2,2-dimethylcyclobutanecarboxylic acid)
Formula: C9H14O4
Molecular Weight: 186.208
Synonyms: 3-(Carboxymethyl)-2,2-dimethylcyclobutanecarboxylic acid;
Density: 1.21 g/cm3
Boiling Point: 362.7 °C at 760 mmHg
Flash Point: 187.3 °C
PSA: 74.60000
LogP: 1.20800
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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: 17.74×10-24 cm3; (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.