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1H-Indole-5-carboxylicacid, 2,3-dihydro- (15861-30-0)

Identification
Name:1H-Indole-5-carboxylicacid, 2,3-dihydro-
Synonyms:5-Indolinecarboxylicacid (8CI);2,3-Dihydro-1H-indole-5-carboxylic acid;5-Carboxyindoline;
CAS:15861-30-0
Molecular Formula: C9H9NO2
Molecular Weight: 163.17
InChI: InChI=1/C9H9NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2,(H,11,12)
Molecular Structure: (C9H9NO2) 5-Indolinecarboxylicacid (8CI);2,3-Dihydro-1H-indole-5-carboxylic acid;5-Carboxyindoline;
Properties
Density:1.284 g/cm3
Refractive index:1.611
Specification:

The cas register number of Indoline-5-carboxylic acid is 15861-30-0. It also can be called as 1H-Indole-5-carboxylicacid, 2,3-dihydro- and the Systematic name about this chemical is 2,3-dihydro-1H-indole-5-carboxylic acid.

Physical properties about Indoline-5-carboxylic acid are: (1)ACD/LogP: 1.38; (2)ACD/LogD (pH 5.5): 1; (3)ACD/BCF (pH 5.5): 3; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 54; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 49.33Å2; (11)Index of Refraction: 1.611; (12)Molar Refractivity: 44.094 cm3; (13)Molar Volume: 127.087 cm3; (14)Polarizability: 17.48x10-24cm3; (15)Surface Tension: 56.48 dyne/cm; (16)Enthalpy of Vaporization: 64.964 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc2c(cc1)NCC2
(2)InChI: InChI=1/C9H9NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2,(H,11,12)
(3)InChIKey: DZTLKUKANGQSRN-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H9NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2,(H,11,12)
(5)Std. InChIKey: DZTLKUKANGQSRN-UHFFFAOYSA-N

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