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| CAS No.: | 20876-29-3 |
|---|---|
| Name: | (5-METHOXY-2-NITRO-PHENYL)-ACETIC ACID |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C9H9NO5 |
| Molecular Weight: | 211.174 |
| Synonyms: | Aceticacid, (5-methoxy-2-nitrophenyl)- (8CI);(5-Methoxy-2-nitrophenyl)acetic acid; |
| Density: | 1.382 g/cm3 |
| Melting Point: | 176 °C |
| Boiling Point: | 404.7 °C at 760 mmHg |
| Flash Point: | 198.5 °C |
| PSA: | 92.35000 |
| LogP: | 1.75370 |
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- Total:19 Page 1 of 1 1
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Specification
This chemical is called Benzeneaceticacid, 5-methoxy-2-nitro-, and it can also be named as (5-methoxy-2-nitrophenyl)acetic acid. With the molecular formula of C9H9NO5, its molecular weight is 211.17. The CAS registry number of this chemical is 20876-29-3.
Other characteristics of the Benzeneaceticacid, 5-methoxy-2-nitro- can be summarised as followings: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.63; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 92.35 Å2; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 50.59 cm3; (13)Molar Volume: 152.7 cm3; (14)Polarizability: 20.05×10-24 cm3; (15)Surface Tension: 56 dyne/cm; (16)Density: 1.382 g/cm3; (17)Flash Point: 198.5 °C; (18)Enthalpy of Vaporization: 69.19 kJ/mol; (19)Boiling Point: 404.7 °C at 760 mmHg; (20)Vapour Pressure: 2.83E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1.SMILES: COc1cc(CC(O)=O)c(cc1)N(=O)=O
2.InChI: InChI=1/C9H9NO5/c1-15-7-2-3-8(10(13)14)6(4-7)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
3.InChIKey: QBRHCFNZQWZEQM-UHFFFAOYAO