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6902-77-8

Name 1,4a,5,7a-Tetrahydro-1-hydroxy-7-(hydroxymethyl)-cyclopenta(c)pyran-4-carboxylic acid methyl ester
CAS 6902-77-8
EINECS(EC#) 636-196-5
Molecular Formula C11H14O5
MDL Number MFCD00888600
Molecular Weight 226.23
MOL File 6902-77-8.mol

Chemical Properties

Melting point  118.0 to 123.0 °C
Boiling point  287.83°C (rough estimate)
density  1.1230 (rough estimate)
refractive index  1.4720 (estimate)
storage temp.  Inert atmosphere,Room Temperature
solubility  DMSO: ≥25mg/mL
form  powder
pka 12.06±0.60(Predicted)
color  White to Almost white
λmax 240nm(MeOH)(lit.)
InChI InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1
InChIKey AZKVWQKMDGGDSV-BCMRRPTOSA-N
SMILES [C@@H]1(O)OC=C(C(OC)=O)[C@@]2([H])CC=C(CO)[C@@]12[H]
CAS DataBase Reference 6902-77-8(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
Safety Statements 
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
RTECS  GY5828000
HazardClass  6.1
PackingGroup  III
HS Code  29329990

Hazard Information

Spectrum Detail

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