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Basic Information
CAS No.: 1143-70-0
Name: 3,8-dihydroxy-6H-dibenzo(b,d)pyran-6-one
Article Data: 34
Molecular Structure:
Molecular Structure of 1143-70-0 (3,8-dihydroxy-6H-dibenzo(b,d)pyran-6-one)
Formula: C13H8O4
Molecular Weight: 228.204
Synonyms: 2-Biphenylcarboxylicacid, 2',4,4'-trihydroxy-, d-lactone (7CI,8CI);2',7-Dihydroxy-3,4-benzocoumarin;3,8-Hydroxydibenzo-a-pyrone;Urolithin A;
EINECS: 1592732-453-0
Density: 1.516 g/cm3
Melting Point: 340-345 °C
Boiling Point: 527.9 °C at 760 mmHg
Flash Point: 214.2 °C
PSA: 70.67000
LogP: 2.35740
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    Product name Urolithin A Other name Uro-A;3,8-Dihydroxy-6H-dibenzo<b,d>pyran-6-one;3,8-dihydroxybenzo[c]chromen-6-one;3,8-Dihydroxyurolithin; CAS No. 1143-70-0

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  • 1143-70-0 6H-Dibenzo[b,d]pyran-6-one,3,8-dihydroxy-

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Specification

The CAS registry number of 6H-Dibenzo[b,d]pyran-6-one,3,8-dihydroxy is 1143-70-0. This chemical is also named as 6H-Dibenzo(b,d)pyran-6-one, 3,8-dihydroxy-. In addition, its molecular formula is C13H8O4 and molecular weight is 228.2002. Its IUPAC name is called 3,8-dihydroxybenzo[c]chromen-6-one.

Physical properties about 6H-Dibenzo[b,d]pyran-6-one,3,8-dihydroxy are: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.49; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 45.66; (6)ACD/BCF (pH 7.4): 43.99; (7)ACD/KOC (pH 5.5): 536.36; (8)ACD/KOC (pH 7.4): 516.71; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.717; (13)Molar Refractivity: 59.29 cm3; (14)Molar Volume: 150.4 cm3; (15)Surface Tension: 73.3 dyne/cm; (16)Density: 1.516 g/cm3; (17)Flash Point: 214.2 °C; (18)Enthalpy of Vaporization: 83.28 kJ/mol; (19)Boiling Point: 527.9 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2Oc1cc(O)ccc1c3c2cc(O)cc3
(2)InChI: InChI=1/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H
(3)InChIKey: RIUPLDUFZCXCHM-UHFFFAOYAT