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36873-48-0

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Basic Information
CAS No.: 36873-48-0
Name: Cyclohexanecarboxylicacid, 1-formyl-, ethyl ester
Molecular Structure:
Molecular Structure of 36873-48-0 (Cyclohexanecarboxylicacid, 1-formyl-, ethyl ester)
Formula: C10H16O3
Molecular Weight: 184.235
Synonyms: Ethyl 1-formylcyclohexanecarboxylate;
Density: 1.113 g/cm3
Boiling Point: 249.39 °C at 760 mmHg
Flash Point: 102.813 °C
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Specification

The CAS registry number of Cyclohexanecarboxylicacid, 1-formyl-, ethyl ester is 36873-48-0. This chemical's molecular formula is C10H16O3 and molecular weight is 184.2322. What's more, its systematic name is Ethyl 1-formylcyclohexanecarboxylate.

Physical properties about Cyclohexanecarboxylicacid, 1-formyl-, ethyl ester are: (1) ACD/LogP: 1.62; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.622; (4) ACD/LogD (pH 7.4): 1.622; (5) ACD/BCF (pH 5.5): 10.068; (6) ACD/BCF (pH 7.4): 10.068; (7) ACD/KOC (pH 5.5): 181.777; (8) ACD/KOC (pH 7.4): 181.777; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 43.37 Å2; (13) Index of Refraction: 1.513; (14) Molar Refractivity: 49.768 cm3; (15) Molar Volume: 165.581 cm3; (16) Polarizability: 19.73×10-24 cm3; (17) Surface Tension: 46.193 dyne/cm; (18) Density: 1.113 g/cm3; (19) Flash Point: 102.813 °C; (20) Enthalpy of Vaporization: 48.662 kJ/mol; (21) Boiling Point: 249.39 °C at 760 mmHg; (22) Vapour Pressure: 0.023 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)C1(CCCCC1)C=O
(2) InChI: InChI=1/C10H16O3/c1-2-13-9(12)10(8-11)6-4-3-5-7-10/h8H,2-7H2,1H3
(3) InChIKey: BOXSHJOQEQOGML-UHFFFAOYAA