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Home > Other Heterocycles > 199105-26-5
199105-26-5 | Spiro[2H-1-benzopyran-2,3'-piperidin]-4(3H)-one, hydrochloride
CAS No: 199105-26-5 Catalog No: AG01ASBC MDL No:MFCD18459345
Product Description
Catalog Number:
AG01ASBC
Chemical Name:
Spiro[2H-1-benzopyran-2,3'-piperidin]-4(3H)-one, hydrochloride
CAS Number:
199105-26-5
Molecular Formula:
C13H16ClNO2
Molecular Weight:
253.7246
MDL Number:
MFCD18459345
IUPAC Name:
spiro[3H-chromene-2,3'-piperidine]-4-one;hydrochloride
InChI:
InChI=1S/C13H15NO2.ClH/c15-11-8-13(6-3-7-14-9-13)16-12-5-2-1-4-10(11)12;/h1-2,4-5,14H,3,6-9H2;1H
InChI Key:
MDJMGJJYDDMATF-UHFFFAOYSA-N
SMILES:
O=C1CC2(CCCNC2)Oc2c1cccc2.Cl
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.726g/mol
Monoisotopic Mass:
253.087g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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