CAS No.332187-56-1,Cyclobutanecarboxylic acid, 3,3-dimethoxy- (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	332187-56-1
Name:	Cyclobutanecarboxylic acid, 3,3-dimethoxy- (9CI)

Formula:	C₇H₁₂O₄
Molecular Weight:	160.17
Synonyms:	3,3-Dimethoxycyclobutanecarboxylicacid;
Density:	1.193 g/cm³
Boiling Point:	246.151 °C at 760 mmHg
Flash Point:	97.722 °C
PSA:	55.76000
LogP:	0.47010

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Specification

The 3,3-Dimethoxycyclobutanecarboxylic acid with the CAS number 332187-56-1 is also called Cyclobutanecarboxylicacid, 3,3-dimethoxy-. The IUPAC name is 3,3-dimethoxycyclobutane-1-carboxylic acid. Its molecular formula is C₇H₁₂O₄. This chemcial belongs to the following product categories: (1)Methoxy; (2)Carboxylicacid.

The properties of the 3,3-Dimethoxycyclobutanecarboxylic acid are: (1)ACD/LogP: -0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 55.76 Å²; (11)Index of Refraction: 1.471; (12)Molar Refractivity: 37.527 cm³; (13)Molar Volume: 134.228 cm³; (14)Polarizability: 14.877×10^-24cm³; (15)Surface Tension: 40.14 dyne/cm; (16)Enthalpy of Vaporization: 53.218 kJ/mol; (17)Vapour Pressure: 0.009 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC1(CC(C1)C(=O)O)OC
(2)InChI: InChI=1/C7H12O4/c1-10-7(11-2)3-5(4-7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
(3)InChIKey: FUBIHPWDLJCHSB-UHFFFAOYAM