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6',7'-Dimethyl-3'-oxooctahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid

HCID 190858
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Basic information

CAS
156900-92-4
Standard SMILES
CC1CC23C(COC(=O)C24CO4)C(C(=O)O)CC3C1C
InChIKey
HXNTZKHPSFBXPN-UHFFFAOYSA-N
Molecular formula
C15H20O5
Average molar mass
280.32 g/mol
Monoisotopic mass
280.13107374

Names & identifiers

Preferred name
6',7'-Dimethyl-3'-oxooctahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid
IUPAC
6',7'-Dimethyl-3'-oxooctahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid
English name
tetrahydropentalenolactone
Molecular formula
C15H20O5
Molecular weight
280.32

Names & synonyms

tetrahydropentalenolactoneSpiro[oxirane-2,1'(2'H)-pentaleno[1,6a-c]pyran]-5'-carboxylic acid, octahydro-7',8'-dimethyl-2'-oxo-, [1'R-(1'α,4'aα,5'α,6'aβ,7'α,8'β,9'aR*)]- (9CI)

Database identifiers

CAS
156900-92-4
PubChem CID
190858
DTXSID
DTXSID80935568

Properties

Physicochemical properties

Boiling point
491.902 · 491.902±45.00 °C(Press: 760.00 Torr)(predicted)
Density
1.344 · 1.344±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
4.412 · 4.412±0.60(predicted)

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