Grundinformationen
- Standard-SMILES
O=C(O)[C@H]1C[C@H]1C(=O)O- InChIKey
RLWFMZKPPHHHCB-WSOKHJQSSA-N- Summenformel
- C5H6O4
- Durchschnittliche Molmasse
- 130,1 g/mol
- Monoisotopische Masse
- 130,02660867
Namen und Bezeichner
- Bevorzugter Name
- cis-1,2-Cyclopropanedicarboxylic acid
- IUPAC
- cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
Namen und Synonyme
cis-1,2-cyclopropanedicarboxylic acid(1s,2r)-cyclopropane-1,2-dicarboxylic acidRefChem:577276633-227-4696-74-2(1R,2S)-rel-Cyclopropane-1,2-dicarboxylic acid(1r,2s)-cyclopropane-1,2-dicarboxylic acidcis-cyclopropane-1,2-dicarboxylic acidcis-1,2-Cyclopropane dicarboxylic acidMFCD001858631,2-Cyclopropanedicarboxylic acid, cis-3W9BLV8Q63
Weitere Namen anzeigen
CHEMBL56140811,2-cis-Cyclopropanedicarboxylic acidNSC-167091Rel-(1R,2S)-1,2-cyclopropanedicarboxylic acid1,2-Cyclopropanedicarboxylic acid, (1R,2S)-rel-(1R,2S)-1,2-Cyclopropanedicarboxylic acid1,2-cis-Cyclopropanedicarboxylic Acid; NSC 167091; cis-1,2-Cyclopropanedicarboxylic AcidcCPDA
Datenbank-Bezeichner
- CAS
696-74-2- PubChem CID
- 726455
- DTXSID
DTXSID401382493- ChEMBL
CHEMBL5614081- UNII
- 3W9BLV8Q63
- EC Number
- 105-772-3、633-227-4
- Nikkaji
- J79.910F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,6
- Polarare Oberfläche (TPSA)
- 74,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 144
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Zugehörige Reaktionen
3
Verknüpfte Notizen
Wird geladen…