Compound C21H32N2O4

6-hydroxy-6-oxohexanoate;7-(1H-indol-3-yl)heptylazanium

CAS: 31699-74-8

Molecular Formula	`C21H32N2O4`
Molecular Weight	376.5 g/mol
Topological Polar Surface Area	121.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	11
Exact Mass	376.2362
Heavy Atoms	27
Complexity	329.0

Chemical Identifiers

CAS Number	31699-74-8
SMILES	`C1=CC=C2C(=C1)C(=CN2)CCCCCCC[NH3+].C(CCC(=O)[O-])CC(=O)O`
InChIKey	`BUCCWJVHRMOFRV-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H32N2O4 (CAS: 31699-74-8) is a chemical compound with molecular formula C21H32N2O4 and molecular weight 376.5 g/mol. Its IUPAC systematic name is 6-hydroxy-6-oxohexanoate;7-(1H-indol-3-yl)heptylazanium. Topological Polar Surface Area 121.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 4 Rotatable Bonds 11 Exact Mass 376.2362 Heavy Atoms 27 Complexity 329.0 InChI Key: BUCCWJVHRMOFRV-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C(=CN2)CCCCCCC[NH3+].C(CCC(=O)[O-])CC(=O)O.

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