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Home > Other Heterocycles > 159635-39-9
159635-39-9 | Spiro[2H-1-benzopyran-2,4'-piperidin]-4(3H)-one, hydrochloride (1:1)
CAS No: 159635-39-9 Catalog No: AG001R9B MDL No:MFCD06738865
Product Description
Catalog Number:
AG001R9B
Chemical Name:
Spiro[2H-1-benzopyran-2,4'-piperidin]-4(3H)-one, hydrochloride (1:1)
CAS Number:
159635-39-9
Molecular Formula:
C13H16ClNO2
Molecular Weight:
253.7246
MDL Number:
MFCD06738865
IUPAC Name:
spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
InChI:
InChI=1S/C13H15NO2.ClH/c15-11-9-13(5-7-14-8-6-13)16-12-4-2-1-3-10(11)12;/h1-4,14H,5-9H2;1H
InChI Key:
XJGPFFRUWRFXEL-UHFFFAOYSA-N
SMILES:
O=C1CC2(CCNCC2)Oc2c1cccc2.Cl
Properties
Complexity:
284
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:
0
Undefined Bond Stereocenter Count:
0
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