CAS No.309964-23-6,4-(4-FORMYL-3-METHOXY-PHENOXY)-BUTYRIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	309964-23-6
Name:	4-(4-FORMYL-3-METHOXY-PHENOXY)-BUTYRIC ACID

Formula:	C₁₂H₁₄O₅
Molecular Weight:	238.24
Synonyms:	4-(4-Formyl-3-methoxy-phenoxy)-butyricacid;Butanoic acid, 4-(4-formyl-3-methoxyphenoxy)-;4-(4-formyl-3-methoxyphenoxy)butanoic acid;
Density:	1.232 g/cm³
Boiling Point:	461.5 °C at 760 mmHg
Flash Point:	180.1 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	72.83000
LogP:	1.75130

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Specification

The Butanoic acid,4-(4-formyl-3-methoxyphenoxy)-, with the CAS registry number 309964-23-6, has the systematic name of 4-(4-formyl-3-methoxyphenoxy)butanoic acid. It belongs to the product categories of Miscellaneous and Pharmacetical. And the molecular formula of the chemical is C₁₂H₁₄O₅. What's more, it should be stored at 0-6°C.

The characteristics of Butanoic acid,4-(4-formyl-3-methoxyphenoxy)- are as followings: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): -0.97; (5)ACD/BCF (pH 5.5): 1.48; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.58; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 61.82 cm³; (15)Molar Volume: 193.2 cm³; (16)Polarizability: 24.5×10^-24cm³; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.232 g/cm³; (19)Flash Point: 180.1 °C; (20)Enthalpy of Vaporization: 76.12 kJ/mol; (21)Boiling Point: 461.5 °C at 760 mmHg; (22)Vapour Pressure: 2.58E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CCCOc1cc(OC)c(C=O)cc1
(2)InChI: InChI=1/C12H14O5/c1-16-11-7-10(5-4-9(11)8-13)17-6-2-3-12(14)15/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)
(3)InChIKey: RHQAFYIBBWZTOI-UHFFFAOYAQ