CAS No.55689-64-0,6,11-dihydro-11-oxo-dibenz[b,e]oxepin-2-acetate,methyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	55689-64-0
Name:	6,11-dihydro-11-oxo-dibenz[b,e]oxepin-2-acetate,methyl ester
Article Data:	9

Formula:	C₁₇H₁₄O₄
Molecular Weight:	282.296
Synonyms:	6,11-Dihydro-11-oxo-dibenz[b,e]oxepin-2-acetic acid methyl ester;Methyl 6,11-dihydro-11-oxo-dibenz[b,e]oxepin-2-acetate;
EINECS:	611-301-7
Density:	1.259 g/cm³
Boiling Point:	459.8 °C at 760 mmHg
Flash Point:	205.6 °C
PSA:	52.60000
LogP:	2.52550

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Specification

The CAS register number of Dibenz[b,e]oxepin-2-aceticacid, 6,11-dihydro-11-oxo-, methyl ester is 55689-64-0. It also can be called as 6,11-Dihydro-11-oxo-dibenz[b,e]oxepin-2-acetic acid methyl ester and the systematic name about this chemical is methyl (11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetate. The molecular formula about this chemical is C₁₇H₁₄O₄and the molecular weight is 282.29. It belongs to the following product categories, such as APIs Intermediate; Olmesartan and so on.

Physical properties about Dibenz[b,e]oxepin-2-aceticacid, 6,11-dihydro-11-oxo-, methyl ester are: (1)ACD/LogP: 3.10; (2)ACD/LogD (pH 5.5): 3.1; (3)ACD/LogD (pH 7.4): 3.1; (4)ACD/BCF (pH 5.5): 134.43; (5)ACD/BCF (pH 7.4): 134.43; (6)ACD/KOC (pH 5.5): 1161.97; (7)ACD/KOC (pH 7.4): 1161.97; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 52.6Å²; (11)Index of Refraction: 1.594; (12)Molar Refractivity: 76.1 cm³; (13)Molar Volume: 224.1 cm³; (14)Polarizability: 30.16x10^-24cm³; (15)Surface Tension: 49.2 dyne/cm; (16) Enthalpy of Vaporization: 72.03 kJ/mol; (17)Boiling Point: 459.8 °C at 760 mmHg; (18)Vapour Pressure: 1.23E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)Cc2ccc1OCc3c(C(=O)c1c2)cccc3
(2)InChI: InChI=1/C17H14O4/c1-20-16(18)9-11-6-7-15-14(8-11)17(19)13-5-3-2-4-12(13)10-21-15/h2-8H,9-10H2,1H3
(3)InChIKey: XHRCNWPQPFZGPK-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C17H14O4/c1-20-16(18)9-11-6-7-15-14(8-11)17(19)13-5-3-2-4-12(13)10-21-15/h2-8H,9-10H2,1H3
(5)Std. InChIKey: XHRCNWPQPFZGPK-UHFFFAOYSA-N