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1013333-61-3 | Spiro[2H-1-benzopyran-2,4'-piperidine]-1'-carboxylic acid, 3,4-dihydro-6,7-dimethyl-4-oxo-, 1,1-dimethylethyl ester
CAS No: 1013333-61-3 Catalog No: AG000491 MDL No:
Product Description
Catalog Number:
AG000491
Chemical Name:
Spiro[2H-1-benzopyran-2,4'-piperidine]-1'-carboxylic acid, 3,4-dihydro-6,7-dimethyl-4-oxo-, 1,1-dimethylethyl ester
CAS Number:
1013333-61-3
Molecular Formula:
C20H27NO4
Molecular Weight:
345.4327
IUPAC Name:
tert-butyl 6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C20H27NO4/c1-13-10-15-16(22)12-20(24-17(15)11-14(13)2)6-8-21(9-7-20)18(23)25-19(3,4)5/h10-11H,6-9,12H2,1-5H3
InChI Key:
FUWUMEIWQLJTAQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CC(=O)c1c(O2)cc(c(c1)C)C)OC(C)(C)C
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.194g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.439g/mol
Monoisotopic Mass:
345.194g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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