Malono-2',5'-xylidic acid supplier

Name
3-[(2,5-dimethylphenyl)amino]-3-oxopropanoic acid
EINECS
CAS No. 6850-98-2
Density 1.247 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₃NO₃
Boiling Point 421.402 °C at 760 mmHg
Molecular Weight 207.2258
Flash Point 208.657 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propanoic acid,3-[(2,5-dimethylphenyl)amino]- 3-oxo-;
PSA
LogP

Malono-2',5'-xylidic acid Specification

The Malono-2',5'-xylidic acid is an organic compound with the formula C₁₁H₁₃NO₃. The systematic name of this chemical is 3-[(2,5-dimethylphenyl)amino]-3-oxopropanoic acid. With the CAS registry number 6850-98-2, it is also named as propanoic acid, 3-[(2,5-dimethylphenyl)amino]-3-oxo-.

Physical properties about Malono-2',5'-xylidic acid are: (1)CD/LogP: 1.17; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 66.4 Å²; (10)Index of Refraction: 1.594; (11) Molar Refractivity: 56.372 cm³; (12)Molar Volume: 166.199 cm³; (13)Polarizability: 22.348×10^-24cm³; (14)Surface Tension: 52.74 dyne/cm; (15)Density: 1.247 g/cm³; (16)Flash Point: 208.657 °C; (17)Enthalpy of Vaporization: 71.205 kJ/mol; (18)Boiling Point: 421.402 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(C)cc1NC(=O)CC(O)=O
(2)InChI: InChI=1/C11H13NO3/c1-7-3-4-8(2)9(5-7)12-10(13)6-11(14)15/h3-5H,6H2,1-2H3,(H,12,13)(H,14,15)
(3)InChIKey: WMDHWBXNSRIBCJ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C11H13NO3/c1-7-3-4-8(2)9(5-7)12-10(13)6-11(14)15/h3-5H,6H2,1-2H3,(H,12,13)(H,14,15)
(5)Std. InChIKey: WMDHWBXNSRIBCJ-UHFFFAOYSA-N

Product Name

3-[(2,5-dimethylphenyl)amino]-3-oxopropanoic acid

Malono-2',5'-xylidic acid Specification

Related Products

Hot Products