2-Furancarboxylic acid,5-[(phenylsulfonyl)methyl]-, methyl ester supplier

Name
METHYL 5-[(PHENYLSULFONYL)METHYL]-2-FUROATE
EINECS
CAS No. 91903-72-9
Density 1.318g/cm³
Solubility
Melting Point
Formula C₁₃H₁₂O₅S
Boiling Point 484.5 °C at 760 mmHg
Molecular Weight 280.301
Flash Point 246.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Furoicacid, 5-[(phenylsulfonyl)methyl]-, methyl ester (7CI);
PSA 81.96000
LogP 3.12090

2-Furancarboxylic acid,5-[(phenylsulfonyl)methyl]-, methyl ester Specification

The 2-Furancarboxylic acid,5-[(phenylsulfonyl)methyl]-, methyl ester, with CAS registry number 91903-72-9, has the systematic name of methyl 5-[(phenylsulfonyl)methyl]furan-2-carboxylate. Besides this, it is also called Methyl 5-[(phenylsulfonyl)methyl]-2-furoate. And the chemical formula of this chemical is C₁₃H₁₂O₅S.

Physical properties of 2-Furancarboxylic acid,5-[(phenylsulfonyl)methyl]-, methyl ester: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 4.19; (6)ACD/BCF (pH 7.4): 4.19; (7)ACD/KOC (pH 5.5): 97.12; (8)ACD/KOC (pH 7.4): 97.12; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 81.96 Å²; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 68.5 cm³; (15)Molar Volume: 212.6 cm³; (16)Polarizability: 27.15×10^-24cm³; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.318 g/cm³; (19)Flash Point: 246.8 °C; (20)Enthalpy of Vaporization: 74.99 kJ/mol; (21)Boiling Point: 484.5 °C at 760 mmHg; (22)Vapour Pressure: 1.52E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccccc1)Cc2oc(C(=O)OC)cc2
(2)InChI: InChI=1/C13H12O5S/c1-17-13(14)12-8-7-10(18-12)9-19(15,16)11-5-3-2-4-6-11/h2-8H,9H2,1H3
(3)InChIKey: ZBQTVMXADXLQBU-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C13H12O5S/c1-17-13(14)12-8-7-10(18-12)9-19(15,16)11-5-3-2-4-6-11/h2-8H,9H2,1H3
(5)Std. InChIKey: ZBQTVMXADXLQBU-UHFFFAOYSA-N

Product Name

METHYL 5-[(PHENYLSULFONYL)METHYL]-2-FUROATE

2-Furancarboxylic acid,5-[(phenylsulfonyl)methyl]-, methyl ester Specification

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