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172733-79-8

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Basic Information
CAS No.: 172733-79-8
Name: Spiro[isobenzofuran-1(3H),4'-piperidin]-3-one hydrochloride
Article Data: 3
Molecular Structure:
Molecular Structure of 172733-79-8 (Spiro[isobenzofuran-1(3H),4'-piperidin]-3-one hydrochloride)
Formula: C12H13 N O2 . Cl H
Molecular Weight: 239.702
Synonyms: Spiro[isobenzofuran-1(3H),4'-piperidin]-3-one,hydrochloride (9CI); 3-Oxo-1,3-dihydrospiro[isobenzofuran-1,4'-piperidine]hydrochloride
PSA: 38.33000
LogP: 2.56650
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Chemistry

Molecular structure of Spiro[isobenzofuran-1(3H),4'-piperidin]-3-one hydrochloride (CAS NO.172733-79-8) is:

Product Name: Spiro[isobenzofuran-1(3H),4'-piperidin]-3-one hydrochloride
CAS Registry Number: 172733-79-8
Systematic Name: 3H-spiro[2-benzofuran-1,4'-piperidin]-3-one hydrochloride (1:1)
Molecular Formula: C12H13NO2.HCl
Molecular Weight: 239.70
Flash Point: 213.6 °C
Enthalpy of Vaporization: 69.81 kJ/mol
Boiling Point: 429.6 °C at 760 mmHg
Vapour Pressure: 8.75E-08 mmHg at 25°C
SMILES: Cl.O=C2OC1(CCNCC1)c3ccccc23
InChI: InChI=1/C12H13NO2.ClH/c14-11-9-3-1-2-4-10(9)12(15-11)5-7-13-8-6-12;/h1-4,13H,5-8H2;1H
InChIKey: JDUFOCPANLQXPS-UHFFFAOYAD
Std. InChI: InChI=1S/C12H13NO2.ClH/c14-11-9-3-1-2-4-10(9)12(15-11)5-7-13-8-6-12;/h1-4,13H,5-8H2;1H
Std. InChIKey: JDUFOCPANLQXPS-UHFFFAOYSA-N

Specification

 Spiro[isobenzofuran-1(3H),4'-piperidin]-3-one hydrochloride , its cas register number is 172733-79-8. It also can be called Spiro[isobenzofuran-1(3H),4'-piperidin]-3-one,hydrochloride (1:1) .