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27748-08-9

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Basic Information
CAS No.: 27748-08-9
Name: methyl 4-hydroxy-1H-indole-2-carboxylate
Article Data: 11
Molecular Structure:
Molecular Structure of 27748-08-9 (methyl 4-hydroxy-1H-indole-2-carboxylate)
Formula: C10H9NO3
Molecular Weight: 191.18
Synonyms: Methyl 4-hydroxy-1H-indole-2-carboxylate;
Density: 1.383 g/cm3
Boiling Point: 405.639 °C at 760 mmHg
Flash Point: 199.124 °C
PSA: 62.32000
LogP: 1.66010
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Specification

The methyl 4-hydroxy-1H-indole-2-carboxylate has the CAS registry number 27748-08-9. This chemical's molecular formula is C10H9NO3 and molecular weight is 191.18. What's more, its systematic name is methyl 4-hydroxy-1H-indole-2-carboxylate.

Physical properties of methyl 4-hydroxy-1H-indole-2-carboxylate are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 15; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 237; (8)ACD/KOC (pH 7.4): 234; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 62.32 Å2; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 52.183 cm3; (15)Molar Volume: 138.194 cm3; (16)Polarizability: 20.687×10-24cm3; (17)Surface Tension: 63.804 dyne/cm; (18)Density: 1.383 g/cm3; (19)Flash Point: 199.124 °C; (20)Enthalpy of Vaporization: 68.283 kJ/mol; (21)Boiling Point: 405.639 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c2cc1c(cccc1O)n2
(2)InChI: InChI=1S/C10H9NO3/c1-14-10(13)8-5-6-7(11-8)3-2-4-9(6)12/h2-5,11-12H,1H3
(3)InChIKey: YAODSTOIAVANEI-UHFFFAOYSA-N