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| CAS No.: | 71590-08-4 |
|---|---|
| Name: | METHYL 5-METHOXY-ISOPHTHALATE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C10H10O5 |
| Molecular Weight: | 210.186 |
| 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; |
| EINECS: | 200-258-5 |
| Density: | 1.282 g/cm3 |
| Melting Point: | 165-166 °C |
| Boiling Point: | 383.4 °C at 760 mmHg |
| Flash Point: | 153.7 °C |
| PSA: | 72.83000 |
| LogP: | 1.18000 |
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- Total:20 Page 1 of 1 1
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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