Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | Xi | |
Synonyms |
Indole-2-carboxylicacid, 4-methoxy- (6CI);4-Methoxy-1H-indole-2-carboxylic acid; |
Article Data | 9 |
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