DTXSID50858977

(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate

CAS: 6912-76-1

Molecular Formula	`C18H26NO3+`
Molecular Weight	304.4 g/mol
LogP	1.8
Topological Polar Surface Area	46.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	304.19125
Heavy Atoms	22
Complexity	387.0

Chemical Identifiers

CAS Number	6912-76-1
SMILES	`C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C`
InChIKey	`PIPAJLPNWZMYQA-UHFFFAOYSA-N`

📖 Product Overview

DTXSID50858977 (CAS: 6912-76-1) is a chemical compound with molecular formula C18H26NO3+ and molecular weight 304.4 g/mol. Its IUPAC systematic name is (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate. LogP 1.8 Topological Polar Surface Area 46.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 5 Exact Mass 304.19125 Heavy Atoms 22 Complexity 387.0 InChI Key: PIPAJLPNWZMYQA-UHFFFAOYSA-N. SMILES: C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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