-
Name
trans-1'-Oxo-spiro[cyclohexane-1,3'(1'H)-furo[3,4-c]pyridine]-4-carboxylic acid hydrochloride
- EINECS
- CAS No. 687640-97-7
- Density
- Solubility
- Melting Point
- Formula C13H13NO4.HCl
- Boiling Point 538.7 °C at 760 mmHg
- Molecular Weight 283.71
- Flash Point 279.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Spiro[cyclohexane-1,3'(1'H)-furo[3,4-c]pyridine]-4-carboxylicacid, 1'-oxo-, hydrochloride, trans- (9CI);
- PSA
- LogP
trans-1'-Oxo-spiro[cyclohexane-1,3'(1'H)-furo[3,4-c]pyridine]-4-carboxylic acid hydrochloride Specification
The trans-1'-Oxo-spiro[cyclohexane-1,3'(1'H)-furo[3,4-c]pyridine]-4-carboxylic acid hydrochloride, with the CAS registry number 687640-97-7, is also known as Spiro[cyclohexane-1,3'(1'H)-furo[3,4-c]pyridine]-4-carboxylic acid, 1'-oxo-, hydrochloride (1:1). This chemical's molecular formula is C13H13NO4.HCl and molecular weight is 283.71. Its systematic name is called 1'-oxo-1'H-spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-4-carboxylic acid hydrochloride (1:1).
Physical properties of trans-1'-Oxo-spiro[cyclohexane-1,3'(1'H)-furo[3,4-c]pyridine]-4-carboxylic acid hydrochloride: (1)ACD/LogP: 0.59; (2)#H bond acceptors: 5; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 65.49 Å2; (6)Flash Point: 279.6 °C; (7)Enthalpy of Vaporization: 85.88 kJ/mol; (8)Boiling Point: 538.7 °C at 760 mmHg; (9)Vapour Pressure: 1.95E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C1OC3(c2c1ccnc2)CCC(C(=O)O)CC3
(2)InChI: InChI=1/C13H13NO4.ClH/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);1H
(3)InChIKey: JVGGFVSBJLVKCS-UHFFFAOYAP
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