Benzoic acid,3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]- supplier

Name
METHYL 3-FORMYLINDOLE-6-CARBOXYLATE
EINECS
CAS No. 387350-58-5
Density 1.341 g/cm³
Solubility
Melting Point 220-224ºC
Formula C₁₁H₉NO₃
Boiling Point 404.4 °C at 760 mmHg
Molecular Weight 203.19
Flash Point 198.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Methyl 3-formylindole-6-carboxylate;Methyl 3-formyl-1H-indole-6-carboxylate;3-Formyl-1H-Indole-6-Carboxylic Acid Methyl Ester;F-7295;
PSA 90.77000
LogP 1.98430

Benzoic acid,3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]- Specification

The Benzoic acid,3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, with the CAS registry number 387350-58-5, is also known as Methyl 3-formylindole-6-carboxylate. This chemical's molecular formula is C₁₁H₉NO₃ and molecular weight is 203.19. What's more, its systematic name is methyl 3-formyl-1H-indole-6-carboxylate.

Physical properties of Benzoic acid,3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]- are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 48.3 Å²; (7)Index of Refraction: 1.677; (8)Molar Refractivity: 57.05 cm³; (9)Molar Volume: 151.4 cm³; (10)Polarizability: 22.61×10^-24 cm³; (11)Surface Tension: 59.5 dyne/cm; (12)Density: 1.341 g/cm³; (13)Flash Point: 198.4 °C; (14)Enthalpy of Vaporization: 65.59 kJ/mol; (15)Boiling Point: 404.4 °C at 760 mmHg; (16)Vapour Pressure: 9.46E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OC)c1ccc2c(c1)ncc2C=O
(2)InChI: InChI=1/C11H9NO3/c1-15-11(14)7-2-3-9-8(6-13)5-12-10(9)4-7/h2-6,12H,1H3
(3)InChIKey: KRDRROJESQUFMJ-UHFFFAOYAU

Product Name

METHYL 3-FORMYLINDOLE-6-CARBOXYLATE

Benzoic acid,3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]- Specification

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