2-Butenoic acid,4-[(3-methoxyphenyl)amino]-4-oxo- supplier

Name
4-(3-METHOXYANILINO)-4-OXOBUT-2-ENOIC ACID
EINECS
CAS No. 306935-71-7
Article Data15
CAS DataBase
Density 1.318 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₁NO₄
Boiling Point 467.8 °C at 760 mmHg
Molecular Weight 221.213
Flash Point 236.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2E)-4-[(3-methoxyphenyl)amino]-4-oxobut-2-enoic acid;2-butenoic acid, 4-[(3-methoxyphenyl)amino]-4-oxo-, (2E)-;
PSA 75.63000
LogP 1.34750

2-Butenoic acid,4-[(3-methoxyphenyl)amino]-4-oxo- Specification

The 2-Butenoic acid,4-[(3-methoxyphenyl)amino]-4-oxo-, with the CAS registry number 306935-71-7, has the systematic name of (2E)-4-[(3-methoxyphenyl)amino]-4-oxobut-2-enoic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₁H₁₁NO₄.

The characteristics of 2-Butenoic acid,4-[(3-methoxyphenyl)amino]-4-oxo- are as followings: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.03; (4)ACD/LogD (pH 7.4): -2.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 58.09 cm³; (15)Molar Volume: 167.7 cm³; (16)Polarizability: 23.02×10^-24cm³; (17)Surface Tension: 54.6 dyne/cm; (18)Density: 1.318 g/cm³; (19)Flash Point: 236.7 °C; (20)Enthalpy of Vaporization: 76.89 kJ/mol; (21)Boiling Point: 467.8 °C at 760 mmHg; (22)Vapour Pressure: 1.5E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)\C=C\C(=O)Nc1cccc(OC)c1
(2)InChI: InChI=1/C11H11NO4/c1-16-9-4-2-3-8(7-9)12-10(13)5-6-11(14)15/h2-7H,1H3,(H,12,13)(H,14,15)/b6-5+
(3)InChIKey: CXOUTHKBZTXXAU-AATRIKPKBN

Product Name

4-(3-METHOXYANILINO)-4-OXOBUT-2-ENOIC ACID

2-Butenoic acid,4-[(3-methoxyphenyl)amino]-4-oxo- Specification

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