Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzeneaceticacid, 5-methoxy-2-nitro- |
EINECS | N/A |
CAS No. | 20876-29-3 | Density | 1.382 g/cm3 |
PSA | 92.35000 | LogP | 1.75370 |
Solubility | N/A | Melting Point |
176 °C |
Formula | C9H9NO5 | Boiling Point | 404.7 °C at 760 mmHg |
Molecular Weight | 211.174 | Flash Point | 198.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Aceticacid, (5-methoxy-2-nitrophenyl)- (8CI);(5-Methoxy-2-nitrophenyl)acetic acid; |
Article Data | 7 |
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