2,2-Dimethylcyclopropane-1-carboxylic acid

HCID 260708CAS 75885-59-5

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Grundinformationen

Standard-SMILES: CC1(C)CC1C(=O)O
InChIKey: BFNMOMYTTGHNGJ-UHFFFAOYSA-N
Summenformel: C6H10O2
Durchschnittliche Molmasse: 114,14 g/mol
Monoisotopische Masse: 114,06807956

Namen und Bezeichner

Bevorzugter Name: 2,2-Dimethylcyclopropane-1-carboxylic acid
IUPAC: 2,2-dimethylcyclopropane-1-carboxylic acid
Englischer Name: 2,2-Dimethyl-1-cyclopropanecarboxylic acid
Molmasse: 0

Namen und Synonyme

2,2-dimethylcyclopropane-1-carboxylic acidRefChem:441420811-960-22,2-dimethylcyclopropanecarboxylic acid75885-59-52,2-Dimethyl cyclopropyl carboxylic acidMFCD04972493931-26-02,2-Dimethylcyclopropylcarboxylic acid2,2-dimethyl-1-cyclopropanecarboxylic acidNSC92357NCIOpen2_001340

Weitere Namen anzeigen

SCHEMBL294740SCHEMBL7634701DTXSID60293799NSC-92357SBB0534592,2-dimethylcyclopropanecarboxylicacid22-Dimethylcyclopropanecarboxylic acidAKOS005217436

Datenbank-Bezeichner

CAS: 75885-59-5、931-26-0
PubChem CID: 260708
DTXSID: DTXSID60293799
EC Number: 811-960-2
Nikkaji: J43.072B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 126

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.