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Home > Other Heterocycles > 868361-89-1
868361-89-1 | Spiro[2H-1-benzopyran-2,4'-piperidin]-4(3H)-one,7-methoxy-1'-(phenylmethyl)-
CAS No: 868361-89-1 Catalog No: AG00IE83 MDL No:MFCD08311603
Product Description
Catalog Number:
AG00IE83
Chemical Name:
Spiro[2H-1-benzopyran-2,4'-piperidin]-4(3H)-one,7-methoxy-1'-(phenylmethyl)-
CAS Number:
868361-89-1
Molecular Formula:
C21H23NO3
Molecular Weight:
337.4122
MDL Number:
MFCD08311603
IUPAC Name:
1'-benzyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
InChI:
InChI=1S/C21H23NO3/c1-24-17-7-8-18-19(23)14-21(25-20(18)13-17)9-11-22(12-10-21)15-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3
InChI Key:
IUVRAAHOJCKZJL-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)OC1(CC2=O)CCN(CC1)Cc1ccccc1
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.419g/mol
Monoisotopic Mass:
337.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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