Methyl 5-methoxyisophthalate supplier

Name
METHYL 5-METHOXY-ISOPHTHALATE
EINECS 200-258-5
CAS No. 71590-08-4
Article Data8
CAS DataBase
Density 1.282 g/cm³
Solubility
Melting Point 165-166 °C
Formula C₁₀H₁₀O₅
Boiling Point 383.4 °C at 760 mmHg
Molecular Weight 210.186
Flash Point 153.7 °C
Transport Information
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Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Benzenedicarboxylicacid, 5-methoxy-, monomethyl ester (9CI);3-(Methyloxy)-5-[(methyloxy)carbonyl]benzoic acid;3-Methoxy-5-(methoxycarbonyl)benzoic acid;3-Methoxycarbonyl-5-methoxybenzoicacid;5-Methoxy-3-(methoxycarbonyl)benzoic acid;Mono methyl5-methoxyisophthalate;
PSA 72.83000
LogP 1.18000

Methyl 5-methoxyisophthalate Specification

This chemical is called 3-Methoxy-5-(methoxycarbonyl)benzoic acid, and it can also be named as Methyl 5-methoxy-isophthalate. With the molecular formula of C₁₀H₁₀O₅, its molecular weight is 210.18. The CAS registry number of this chemical is 71590-08-4.

Other characteristics of the 3-Methoxy-5-(methoxycarbonyl)benzoic acid can be summarised as followings: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): -1.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.45; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 51.63 cm³; (15)Molar Volume: 163.8 cm³; (16)Polarizability: 20.46×10^-24cm³; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.282 g/cm³; (19)Flash Point: 153.7 °C; (20)Enthalpy of Vaporization: 66.65 kJ/mol; (21)Boiling Point: 383.4 °C at 760 mmHg; (22)Vapour Pressure: 1.46E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: COc1cc(cc(c1)C(=O)OC)C(O)=O
2.InChI: InChI=1/C10H10O5/c1-14-8-4-6(9(11)12)3-7(5-8)10(13)15-2/h3-5H,1-2H3,(H,11,12)
3.InChIKey: PMYOJVWSJTZGDJ-UHFFFAOYAJ

Product Name

METHYL 5-METHOXY-ISOPHTHALATE

Methyl 5-methoxyisophthalate Specification

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