CAS No.13129-23-2,Methyl furan-3-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13129-23-2
Name:	Methyl furan-3-carboxylate
Article Data:	2

Formula:	C₆H₆O₃
Molecular Weight:	126.112
Synonyms:	3-Furoicacid, methyl ester (6CI,7CI,8CI);3-(Methoxycarbonyl)furan;Methyl3-furancarboxylate;Methyl 3-furoate;NSC 305748;
EINECS:	215-614-6
Density:	1.145 g/cm³
Melting Point:	64-67 °C
Boiling Point:	160 °C at 760 mmHg
Flash Point:	47.3 °C
Solubility:	Insoluble in water
Appearance:	Colorless oil
Hazard Symbols:	Xi
Risk Codes:	R20/21/22; R36/37/38
PSA:	39.44000
LogP:	1.06620

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Specification

The 3-Furancarboxylic acid,methyl ester, with the CAS registry number 13129-23-2, is also known as Methyl 3-furoate. This chemical's molecular formula is C₆H₆O₃ and molecular weight is 126.11. What's more, its systematic name is Methyl furan-3-carboxylate.

Physical properties of 3-Furancarboxylic acid,methyl ester are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.27; (5)ACD/BCF (pH 5.5): 5.47; (6)ACD/BCF (pH 7.4): 5.47; (7)ACD/KOC (pH 5.5): 117.48; (8)ACD/KOC (pH 7.4): 117.48; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.44 Å²; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 30.32 cm³; (15)Molar Volume: 110.1 cm³; (16)Polarizability: 12.02×10^-24cm³; (17)Surface Tension: 34 dyne/cm; (18)Density: 1.145 g/cm³; (19)Flash Point: 47.3 °C; (20)Enthalpy of Vaporization: 39.66 kJ/mol; (21)Boiling Point: 160 °C at 760 mmHg; (22)Vapour Pressure: 2.44 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=COC=C1
(2)InChI: InChI=1S/C6H6O3/c1-8-6(7)5-2-3-9-4-5/h2-4H,1H3
(3)InChIKey: ZKHQSQYLKSSYIP-UHFFFAOYSA-N