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7H-Furo[3,2-g][1]benzopyran-7-one,2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (2S)- (13849-08-6)

Identification
Name:7H-Furo[3,2-g][1]benzopyran-7-one,2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (2S)-
Synonyms:7H-Furo[3,2-g][1]benzopyran-7-one,2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-;7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-,(S)-(+)- (8CI); Marmesin (6CI,7CI); (+)-Marmesin; (S)-Marmesin; NSC 340840;S-(+)-Marmesin
CAS:13849-08-6
Molecular Formula: C14H14 O4
Molecular Weight: 246.28
InChI: InChI=1/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3
Molecular Structure: (C14H14O4) 7H-Furo[3,2-g][1]benzopyran-7-one,2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-;7H-Furo[3,2-g][1]be...
Properties
Flash Point: 168°C
Boiling Point: 434°Cat760mmHg
Density:1.334g/cm3
Refractive index:1.61
Specification:

Descriptors computed from structure, you can know some information about Marmesin (CAS NO.13849-08-6) :
Canonical SMILES: CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O
Isomeric SMILES: CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O
InChI: InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1
InChIKey: FWYSBEAFFPBAQU-LBPRGKRZSA-N
Exact Mass: 246.089209
MonoIsotopic Mass: 246.089209
Topological Polar Surface Area: 55.8
Heavy Atom Count: 18

Flash Point: 168°C
Safety Data
 

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