Benzeneaceticacid, 5-methoxy-2-nitro- supplier

Name
(5-METHOXY-2-NITRO-PHENYL)-ACETIC ACID
EINECS
CAS No. 20876-29-3
Article Data7
CAS DataBase
Density 1.382 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, (5-methoxy-2-nitrophenyl)- (8CI);(5-Methoxy-2-nitrophenyl)acetic acid;
PSA 92.35000
LogP 1.75370

Benzeneaceticacid, 5-methoxy-2-nitro- 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

Product Name

(5-METHOXY-2-NITRO-PHENYL)-ACETIC ACID

Benzeneaceticacid, 5-methoxy-2-nitro- Specification

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