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34769-44-3

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Basic Information
CAS No.: 34769-44-3
Name: 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3(2H,9bH)-dione monosodium salt
Molecular Structure:
Molecular Structure of 34769-44-3 (2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3(2H,9bH)-dione monosodium salt)
Formula: C18H16O7.Na
Molecular Weight: 367.08
Synonyms: 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3(2H,9bH)-dione, monosodium salt;
EINECS: 252-204-6
Boiling Point: 594.8 °C at 760 mmHg
Flash Point: 219.1 °C
PSA: 120.80000
LogP: 1.93800
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Chemistry

Empirical Formula: C18H15NaO7
Molecular Weight: 366.2973 g/mol
EINECS: 252-204-6 
Flash Point: 219.1 °C
Enthalpy of Vaporization: 91.92 kJ/mol
Boiling Point: 594.8 °C at 760 mmHg
Vapour Pressure: 9.59E-15 mmHg at 25 °C
Structure of Sodium usnate (CAS NO.34769-44-3):
                     
IUPAC Name: Sodium4,8-diacetyl-3-hydroxy-2,9a-dimethyl-7,9-dioxodibenzofuran-1-olate
Canonical SMILES: CC1=C(C(=C2C(=C1[O-])C3(C(=CC(=O)C(C3=O)C(=O)C)O2)C)C(=O)C)O.[Na+]
InChI: InChI=1S/C18H16O7.Na/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24;/h5,11,22-23H,1-4H3;/q;+1/p-1
InChIKey: MKLQPOLHKMNWKN-UHFFFAOYSA-M
Product Category of Sodium usnate (CAS NO.34769-44-3): Miscellaneous Natural Products

Specification

 Sodium usnate (CAS NO.34769-44-3) also can be called Sodium 4,8-diacetyl-3-hydroxy-2,9a-dimethyl-7,9-dioxodibenzofuran-1-olate ; and 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3(2H,9bH)-dione monosodium salt .