1H-Indole-3-carboxylic acid,5-hydroxy-,methyl ester

CAS	112332-96-4
Structure
Description	Methyl 5-hydroxy-1H-indole-3-carboxylate is a marine derived natural products found in Hyrtios erectus.
Synonyms	5-Hydroxy-1H-indole-3-carboxylic acid methyl ester
IUPAC Name	Methyl 5-hydroxy-1H-indole-3-carboxylate
Molecular Weight	191.18
Canonical SMILES	COC(=O)C1=CNC2=C1C=C(C=C2)O
InChI	InChI=1S/C10H9NO3/c1-14-10(13)8-5-11-9-3-2-6(12)4-7(8)9/h2-5,11-12H,1H3
InChI Key	LRAADKIIEUFKEG-UHFFFAOYSA-N
Boiling Point	405.6±25.0 °C (lit.)
Purity	95%+
Density	1.383±0.06 g/cm³
Complexity	231
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	191.058243149
Heavy Atom Count	14
Monoisotopic Mass	191.058243149
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	62.3 Ų