CAS No.103260-65-7,4-Methoxy-1H-indole-2-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	103260-65-7
Name:	4-Methoxy-1H-indole-2-carboxylic acid
Article Data:	9

Formula:	C₁₀H₉NO₃
Molecular Weight:	191.186
Synonyms:	Indole-2-carboxylicacid, 4-methoxy- (6CI);4-Methoxy-1H-indole-2-carboxylic acid;
Density:	1.381 g/cm³
Melting Point:	234-235 °C
Boiling Point:	447.6 °C at 760 mmHg
Flash Point:	224.5 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	62.32000
LogP:	1.87470

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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