Dimethyl bicyclo[2.2.1]heptane-1,4-dicarboxylate

dimethyl norbornane-1,4-dicarboxylate · bicyclo[2.2.1]heptane-1,4-dicarboxylate · DiMethyl bicyclo[2.2.1]heptane-1,4-carboxylate · 1,4-dimethyl bicyclo[2.2.1]heptane-1,4-dicarboxylate · Dimethyl (1r,4r)-bicyclo[2.2.1]heptane-1,4-dicarboxylate · Bicyclo[2.2.1]heptane-1,4-dicarboxylic acid, 1,4-dimethyl ester

https://huagongshe.com/de/chemical/13633974

Molekülstruktur von Dimethyl bicyclo[2.2.1]heptane-1,4-dicarboxylate

Identifikatoren & physikalische Daten

CAS No.	15448-76-7
Summenformel	C11H16O4
Durchschnittliche Molmasse	212,24 g/mol
Monoisotopische Masse	212,10485899 g/mol
SMILES	COC(=O)C12CCC(C(=O)OC)(CC1)C2
InChIKey	UBGSPDWVUMFEAZ-UHFFFAOYSA-N
PubChem CID	13633974
DTXSID	DTXSID80545505

Chemische & physikalische Eigenschaften

XLogP	0,9
Polarare Oberfläche (TPSA)	52,6
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	4
Schwere Atome	15
Formalladung	0
Komplexität	270
Schmelzpunkt	57.2-58 °C
Siedepunkt	264.9±13.0 °C(Predicted)
Dichte	1.248±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
InChI	InChI=1S/C11H16O4/c1-14-8(12)10-3-5-11(7-10,6-4-10)9(13)15-2/h3-7H2,1-2H3
InChIKey	UBGSPDWVUMFEAZ-UHFFFAOYSA-N
SMILES	C12(C(OC)=O)CC(C(OC)=O)(CC1)CC2

Sicherheit & Vorschriften

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