1-Methoxyindole-3-carboxylic acid

Catalog Number	ACM91913767
CAS Number	91913-76-7
Synonyms	1H-Indole-3-carboxylic acid, 1-methoxy-
IUPAC Name	1-Methoxyindole-3-carboxylic acid
Molecular Weight	191.18
Molecular Formula	C10H9NO3
Canonical SMILES	CON1C=C(C2=CC=CC=C21)C(=O)O
InChI	InChI=1S/C10H9NO3/c1-14-11-6-8(10(12)13)7-4-2-3-5-9(7)11/h2-6H,1H3,(H,12,13)
InChI Key	NYXZLEZAQMDQPX-UHFFFAOYSA-N
Purity	98%
Appearance	Solid
Complexity	231
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	191.058243149
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Monoisotopic Mass	191.058243149
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	51.5 Ų

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