Hexahydro-2,5-methanopentalene-3a(1H)-carboxylic acid

HCID 2733865CAS 16200-53-6

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Grundinformationen

Standard-SMILES: O=C(O)C12CC3CC(CC1C3)C2
InChIKey: RXUUYFUQAGICCD-UHFFFAOYSA-N
Summenformel: C10H14O2
Durchschnittliche Molmasse: 166,22 g/mol
Monoisotopische Masse: 166,09937969

Namen und Bezeichner

Bevorzugter Name: Hexahydro-2,5-methanopentalene-3a(1H)-carboxylic acid
IUPAC: tricyclo[3.3.1.03,7]nonane-3-carboxylic acid

Namen und Synonyme

16200-53-6hexahydro-2,5-methanopentalene-3a(1h)-carboxylic acidDTXSID101212617hexahydro-2,5-methanopentalene-3a[1H]-carboxylic acidRefChem:786133DTXCID101643971Octahydro-2,5-methanopentalene-3a-carboxylic acid3-Noradamantane carboxylic acid2,5-Methanopentalene-3a(1H)-carboxylic acid, hexahydro-tricyclo[3.3.1.03,7]nonane-3-carboxylic acidSCHEMBL392678BDBM36211

Weitere Namen anzeigen

RXUUYFUQAGICCD-UHFFFAOYSA-3-noradamantanecarboxylate (NAC)AKOS015892776FN00329ST100809SY057061CS-0012219N0621

Datenbank-Bezeichner

CAS: 16200-53-6
PubChem CID: 2733865
DTXSID: DTXSID101212617
EC Number: 681-354-9
Nikkaji: J364.564I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 232

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.