1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

CAS: 5470-37-1

Molecular Formula	`C13H14N2O2`
Molecular Weight	230.26 g/mol
LogP	-0.8
Topological Polar Surface Area	65.1 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	1
Exact Mass	230.10553
Heavy Atoms	17
Complexity	321.0

Chemical Identifiers

CAS Number	5470-37-1
SMILES	`CC1C2=C(CC(N1)C(=O)O)C3=CC=CC=C3N2`
InChIKey	`ZUPHXNBLQCSEIA-UHFFFAOYSA-N`

📖 Product Overview

1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (CAS: 5470-37-1) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.26 g/mol. Its IUPAC systematic name is 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid. LogP -0.8 Topological Polar Surface Area 65.1 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 3 Rotatable Bonds 1 Exact Mass 230.10553 Heavy Atoms 17 Complexity 321.0 InChI Key: ZUPHXNBLQCSEIA-UHFFFAOYSA-N. SMILES: CC1C2=C(CC(N1)C(=O)O)C3=CC=CC=C3N2.

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