3-Thiatricyclo(5.2.1.0,2,6)deca-2(6),4-diene-4-carboxylic acid
Grundinformationen
- CAS
1194655-80-5- Standard-SMILES
O=C(O)c1cc2c(s1)C1CCC2C1- InChIKey
DWLMCBCPGLTBCX-UHFFFAOYSA-N- Summenformel
- C10H10O2S
- Durchschnittliche Molmasse
- 194,25 g/mol
- Monoisotopische Masse
- 194,04015073
Namen und Bezeichner
- Bevorzugter Name
- 3-Thiatricyclo(5.2.1.0,2,6)deca-2(6),4-diene-4-carboxylic acid
- IUPAC
- 3-thiatricyclo[5.2.1.02,6]deca-2(6),4-diene-4-carboxylic acid
Namen und Synonyme
1194655-80-53-thiatricyclo[5.2.1.0,2,6]deca-2(6),4-diene-4-carboxylic acid3-Thiatricyclo(5.2.1.0,2,6)deca-2(6),4-diene-4-carboxylic acidRefChem:505428856-976-04,5,6,7-Tetrahydro-4,7-methanobenzo[b]thiophene-2-carboxylic AcidSCHEMBL1782124DWLMCBCPGLTBCX-UHFFFAOYSA-NEN300-1241203-thiatricyclo[5.2.1.0,2,6]deca-2(6),4-diene-4-carboxylicacid
Datenbank-Bezeichner
- CAS
1194655-80-5- PubChem CID
- 58266981
- EC Number
- 856-976-0
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 65,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 253
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Zugehörige Reaktionen
4
Notizen zur Verbindung
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