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4-Methoxyindole-2-carboxylic acid

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Name

4-Methoxyindole-2-carboxylic acid

EINECS N/A
CAS No. 103260-65-7 Density 1.381 g/cm3
PSA 62.32000 LogP 1.87470
Solubility N/A Melting Point 234-235 °C
Formula C10H9NO3 Boiling Point 447.6 °C at 760 mmHg
Molecular Weight 191.186 Flash Point 224.5 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 103260-65-7 (4-Methoxy-1H-indole-2-carboxylic acid) Hazard Symbols IrritantXi
Synonyms

Indole-2-carboxylicacid, 4-methoxy- (6CI);4-Methoxy-1H-indole-2-carboxylic acid;

Article Data 9

4-Methoxyindole-2-carboxylic acid Specification

The IUPAC name of 1H-Indole-2-carboxylicacid, 4-methoxy- is 4-methoxy-1H-indole-2-carboxylic acid. With the CAS registry number 103260-65-7, it is also named as Indole-2-carboxylicacid, 4-methoxy- (6CI). The product's categories are Indoles and Derivatives; Indole. In addition, its molecular formula is C10H9NO3 and its molecular weight is 191.18.

The other characteristics of 1H-Indole-2-carboxylicacid, 4-methoxy- can be summarized as: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 2.08; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.85; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 52.13 cm3; (15)Molar Volume: 138.4 cm3; (16)Polarizability: 20.66×10-24cm3; (17)Surface Tension: 62.7 dyne/cm; (18)Density: 1.381 g/cm3; (19)Flash Point: 224.5 °C; (20)Enthalpy of Vaporization: 74.4 kJ/mol; (21)Boiling Point: 447.6 °C at 760 mmHg; (22)Vapour Pressure: 8.54E-09 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. Please wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)c2cc1c(cccc1OC)n2
(2)InChI: InChI=1/C10H9NO3/c1-14-9-4-2-3-7-6(9)5-8(11-7)10(12)13/h2-5,11H,1H3,(H,12,13)
(3)InChIKey: ZZAVIQXQBBOHBB-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H9NO3/c1-14-9-4-2-3-7-6(9)5-8(11-7)10(12)13/h2-5,11H,1H3,(H,12,13)
(5)Std. InChIKey: ZZAVIQXQBBOHBB-UHFFFAOYSA-N

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