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Home > Other Heterocycles > 252002-14-5
252002-14-5 | Spiro[1H-2-benzopyran-1,4'-piperidin]-3(4H)-one
CAS No: 252002-14-5 Catalog No: AG002QVN MDL No:MFCD16876100
Product Description
Catalog Number:
AG002QVN
Chemical Name:
Spiro[1H-2-benzopyran-1,4'-piperidin]-3(4H)-one
CAS Number:
252002-14-5
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD16876100
IUPAC Name:
spiro[4H-isochromene-1,4'-piperidine]-3-one
InChI:
InChI=1S/C13H15NO2/c15-12-9-10-3-1-2-4-11(10)13(16-12)5-7-14-8-6-13/h1-4,14H,5-9H2
InChI Key:
UCWQMWXINXCTRR-UHFFFAOYSA-N
SMILES:
O=C1Cc2ccccc2C2(O1)CCNCC2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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