-
Name
cis-1'-Oxo-spiro[cyclohexane-1,3'(1'H)-furo[3,4-c]pyridine]-4-carboxylic acid hydrochloride
- EINECS
- CAS No. 799773-96-9
- 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, cis- (9CI);
- PSA 76.49000
- LogP 2.52410
cis-1'-Oxo-spiro[cyclohexane-1,3'(1'H)-furo[3,4-c]pyridine]-4-carboxylic acid hydrochloride Specification
The cis-1'-Oxo-spiro[cyclohexane-1,3'(1'H)-furo[3,4-c]pyridine]-4-carboxylic acid hydrochloride with cas registry number of 799773-96-9, has the systematic name of 1'-oxo-1'H-spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-4-carboxylic acid hydrochloride (1:1). Besides this, it is also named spiro[cyclohexane-1,3'(1'H)-furo[3,4-c]pyridine]-4-carboxylic acid, 1'-oxo-, hydrochloride (1:1).
Physical properties about this chemical are: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 65.49 Å2; (7)Flash Point: 279.6 °C; (8)Enthalpy of Vaporization: 85.88 kJ/mol; (9)Boiling Point: 538.7 °C at 760 mmHg; (10)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;
(4)Std. InChI: InChI=1S/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;
(5)Std. InChIKey: JVGGFVSBJLVKCS-UHFFFAOYSA-N
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