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Home > Other Heterocycles > 911227-79-7
911227-79-7 | 1’-t-Butoxycarbonyl-5-hydroxy-spiro[chroman-2,4’-piperidin]-4-one
CAS No: 911227-79-7 Catalog No: AG00GUJR MDL No:MFCD09951999
Product Description
Catalog Number:
AG00GUJR
Chemical Name:
1’-t-Butoxycarbonyl-5-hydroxy-spiro[chroman-2,4’-piperidin]-4-one
CAS Number:
911227-79-7
Molecular Formula:
C18H23NO5
Molecular Weight:
333.3789
MDL Number:
MFCD09951999
IUPAC Name:
tert-butyl 5-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C18H23NO5/c1-17(2,3)24-16(22)19-9-7-18(8-10-19)11-13(21)15-12(20)5-4-6-14(15)23-18/h4-6,20H,7-11H2,1-3H3
InChI Key:
MIKXBDAPENNHKT-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CC(=O)c1c(O2)cccc1O)OC(C)(C)C
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.384g/mol
Monoisotopic Mass:
333.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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