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328233-23-4

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Basic Information
CAS No.: 328233-23-4
Name: trans-1'-Oxo-spiro[cyclohexane-1,3'(1'H)-furo[3,4-c]pyridine]-4-carboxylic acid
Article Data: 3
Molecular Structure:
Molecular Structure of 328233-23-4 (trans-1'-Oxo-spiro[cyclohexane-1,3'(1'H)-furo[3,4-c]pyridine]-4-carboxylic acid)
Formula: C13H13NO4
Molecular Weight: 247.25
Synonyms: trans-1'-Oxo-spiro[cyclohexane-1,3'(1'H)-furo[3,4-c]pyridine]-4-carboxylic acid;
Density: 1.41 g/cm3
Melting Point: 240-244 °C
Boiling Point: 538.7 °C at 760 mmHg
Flash Point: 279.6 °C
PSA: 76.49000
LogP: 1.72210
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Specification

The cas register number of trans-1'-Oxo-spiro[cyclohexane-1,3'(1'H)-furo[3,4-c]pyridine]-4-carboxylic acid is 328233-23-4. It also can be called as Spiro[cyclohexane-1,3'(1'H)-furo[3,4-c]pyridine]-4-carboxylicacid, 1'-oxo-, trans- and the Systematic name about this chemical is 1'-oxo-1'H-spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-4-carboxylic acid.

Physical properties about trans-1'-Oxo-spiro[cyclohexane-1,3'(1'H)-furo[3,4-c]pyridine]-4-carboxylic acid are: (1)ACD/LogP: 0.59; (2)ACD/LogD (pH 5.5): -0.44; (3)ACD/LogD (pH 7.4): -2.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.68; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 65.49Å2; (12)Index of Refraction: 1.613; (13)Molar Refractivity: 60.99 cm3; (14)Molar Volume: 175.1 cm3; (15)Polarizability: 24.18x10-24cm3; (16)Surface Tension: 66.8 dyne/cm; (17)Enthalpy of Vaporization: 85.88 kJ/mol; (18)Boiling Point: 538.7 °C at 760 mmHg; (19)Vapour Pressure: 1.95E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC3(c2c1ccnc2)CCC(C(=O)O)CC3
(2)InChI: InChI=1/C13H13NO4/c15-11(16)8-1-4-13(5-2-8)10-7-14-6-3-9(10)12(17)18-13/h3,6-8H,1-2,4-5H2,(H,15,16)
(3)InChIKey: PJCKCWRHRYXELD-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C13H13NO4/c15-11(16)8-1-4-13(5-2-8)10-7-14-6-3-9(10)12(17)18-13/h3,6-8H,1-2,4-5H2,(H,15,16)
(5)Std. InChIKey: PJCKCWRHRYXELD-UHFFFAOYSA-N