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328233-18-7

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Basic Information
CAS No.: 328233-18-7
Name: trans-3'-Oxo-spiro[cyclohexane-1,1'(3'H)-furo[3,4-c]pyridine]-4-carboxylic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 328233-18-7 (trans-3'-Oxo-spiro[cyclohexane-1,1'(3'H)-furo[3,4-c]pyridine]-4-carboxylic acid)
Formula: C13H13NO4
Molecular Weight: 247.251
Synonyms: trans-3'-Oxo-spiro[cyclohexane-1,1'(3'H)-furo[3,4-c]pyridine]-4-carboxylic acid;
Density: 1.412 g/cm3
Boiling Point: 538.704 °C at 760 mmHg
Flash Point: 279.598 °C
PSA: 76.49000
LogP: 1.72210
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Specification

The CAS register number of trans-3'-Oxo-spiro[cyclohexane-1,1'(3'H)-furo[3,4-c]pyridine]-4-carboxylic acid is 328233-18-7. It also can be called as Spiro[cyclohexane-1,1'(3'H)-furo[3,4-c]pyridine]-4-carboxylicacid, 3'-oxo-, trans- and the systematic name about this chemical is 3'-oxo-3'H-spiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-4-carboxylic acid. The molecular formula about this chemical is C13H13NO4 and molecular weight is 247.25.

Physical properties about trans-3'-Oxo-spiro[cyclohexane-1,1'(3'H)-furo[3,4-c]pyridine]-4-carboxylic acid are: (1)ACD/LogP: 0.57; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 4; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 76.49Å2; (10)Index of Refraction: 1.613; (11)Molar Refractivity: 60.998 cm3; (12)Molar Volume: 175.158 cm3; (13)Polarizability: 24.182x10-24cm3; (14)Surface Tension: 66.873 dyne/cm; (15)Enthalpy of Vaporization: 85.876 kJ/mol; (16)Boiling Point: 538.704 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C1CCC3(CC1)OC(=O)c2cnccc23
(2)InChI: InChI=1/C13H13NO4/c15-11(16)8-1-4-13(5-2-8)10-3-6-14-7-9(10)12(17)18-13/h3,6-8H,1-2,4-5H2,(H,15,16)
(3)InChIKey: WKGDDMKDIRTPTG-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C13H13NO4/c15-11(16)8-1-4-13(5-2-8)10-3-6-14-7-9(10)12(17)18-13/h3,6-8H,1-2,4-5H2,(H,15,16)
(5)Std. InChIKey: WKGDDMKDIRTPTG-UHFFFAOYSA-N