CAS No.29006-02-8,4-methoxybutyric acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	29006-02-8
Name:	4-methoxybutyric acid
Article Data:	19

Formula:	C₅H₁₀O₃
Molecular Weight:	118.133
Synonyms:	4-Methoxy-butyric acid;
EINECS:	249-366-5
Density:	1.054 g/cm³
Boiling Point:	218.4 °C at 760 mmHg
Flash Point:	91.6 °C
PSA:	46.53000
LogP:	0.49760

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Specification

The Butanoic acid,4-methoxy-, with the CAS registry number 29006-02-8, is also known as 4-Methoxy-butyric acid. Its EINECS registry number is 249-366-5. This chemical's molecular formula is C₅H₁₀O₃ and molecular weight is 118.1311. What's more, both its IUPAC name and systematic name are the same which is called 4-Methoxybutanoic acid.

Physical properties about Butanoic acid,4-methoxy- are: (1)ACD/LogP: -0.06; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.98; (4)ACD/LogD (pH 7.4): -2.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.64; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 28.52 cm³; (15)Molar Volume: 112 cm³; (16)Surface Tension: 34.9 dyne/cm; (17)Density: 1.054 g/cm³; (18)Flash Point: 91.6 °C; (19)Enthalpy of Vaporization: 50.11 kJ/mol; (20)Boiling Point: 218.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0478 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCCOC
(2) InChI: InChI=1/C5H10O3/c1-8-4-2-3-5(6)7/h2-4H2,1H3,(H,6,7)
(3) InChIKey: VRRCYIFZBSJBAT-UHFFFAOYAM