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CAS No.: | 4707-36-2 |
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Name: | 2,3-dihydro-1H-benzo[f]chromen-1-one |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C13H10O2 |
Molecular Weight: | 198.221 |
Synonyms: | 5,6-Benzochromanone;1H-Naphtho[2,1-b]pyran-1-one,2,3-dihydro-;1H-Naphtha(2,1-b)pyran-4-one, 2,3-dihydro-;2,3-Dihydro-1H-benzo[f]chromen-1-one; |
Density: | 1.255 g/cm3 |
Boiling Point: | 382.5 °C at 760 mmHg |
Flash Point: | 189.7 °C |
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The Splitomicin, with the CAS registry number 4707-36-2, is also known as 1H-Naphtho[2,1-b]pyran-1-one,2,3-dihydro-. This chemical's molecular formula is C13H10O2 and molecular weight is 198.22. What's more, its IUPAC name is 2,3-dihydrobenzo[f]chromen-1-one.
Physical properties of Splitomicin are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/BCF (pH 5.5): 165.48; (5)ACD/KOC (pH 5.5): 1348.32; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 26.3 Å2; (10)Index of Refraction: 1.655; (11)Molar Refractivity: 58 cm3; (12)Molar Volume: 157.9 cm3; (13)Polarizability: 22.99×10-24cm3; (14)Surface Tension: 51.4 dyne/cm; (15)Density: 1.255 g/cm3; (16)Flash Point: 189.7 °C; (17)Enthalpy of Vaporization: 63.09 kJ/mol; (18)Boiling Point: 382.5 °C at 760 mmHg; (19)Vapour Pressure: 4.71E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1COC2=C(C1=O)C3=CC=CC=C3C=C2
(2)InChI: InChI=1S/C13H10O2/c14-11-7-8-15-12-6-5-9-3-1-2-4-10(9)13(11)12/h1-6H,7-8H2
(3)InChIKey: ZWRLQFJGZTUXDD-UHFFFAOYSA-N