2-Cyclopropyl-6-hydroxypyrimidine-4-carboxylic acid

HCID 135547527

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Grundinformationen

CAS: 858956-25-9
Standard-SMILES: O=C(O)c1cc(=O)[nH]c(C2CC2)n1
InChIKey: IKDLJHIRCTZDND-UHFFFAOYSA-N
Summenformel: C8H8N2O3
Durchschnittliche Molmasse: 180,16 g/mol
Monoisotopische Masse: 180,05349212

Namen und Bezeichner

Bevorzugter Name: 2-Cyclopropyl-6-hydroxypyrimidine-4-carboxylic acid
IUPAC: 2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxylic acid
Englischer Name: 2-Cyclopropyl-6-oxo-1,6-dihydro-pyrimidine-4-carboxylic acid
Summenformel: C8H8N2O3
Molmasse: 180.16

Namen und Synonyme

858956-25-92-Cyclopropyl-6-hydroxypyrimidine-4-carboxylic acid2-Cyclopropyl-6-oxo-1,6-dihydropyrimidine-4-carboxylic Acid4-Pyrimidinecarboxylicacid, 2-cyclopropyl-1,6-dihydro-6-oxo-MFCD196897022-CYCLOPROPYL-6-OXO-1H-PYRIMIDINE-4-CARBOXYLIC ACID2-Cyclopropyl-6-hydroxy-pyrimidine-4-carboxylic acidAKOS005146310DS-24092-Cyclopropyl-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid2-CYCLOPROPYL-6-OXO-1,6-DIHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID2-cyclopropyl-4-oxo-1H-pyrimidine-6-carboxylic acid

Weitere Namen anzeigen

2-CYCLOPROPYL-6-OXO-1,6-DIHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID ISO 9001：2015 REACH

MFCD087043402-cyclopropyl-1,6-dihydro-6-oxo-4-pyrimidinecarboxylic acidAM8072822-Cyclopropyl-6-hydroxypyrimidine-4-carboxylicacidSCHEMBL719425SCHEMBL1535571SCHEMBL31514264DTXSID90582623

Datenbank-Bezeichner

CAS: 858956-25-9
PubChem CID: 135547527
DTXSID: DTXSID90582623
EC Number: 617-770-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,5
Polarare Oberfläche (TPSA): 78,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 339

Physikochemische Eigenschaften

Dichte: 1.7 · 1.70±0.1 g/cm3 (20 ºC 760 Torr)
storage temp.: 2 · 2-8°C

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.