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1011482-37-3 | Spiro[2H-1-benzopyran-2,4'-piperidine]-1'-carboxylic acid, 6-chloro-3,4-dihydro-4-oxo-, 1,1-dimethylethyl ester
CAS No: 1011482-37-3 Catalog No: AG0003TZ MDL No:
Product Description
Catalog Number:
AG0003TZ
Chemical Name:
Spiro[2H-1-benzopyran-2,4'-piperidine]-1'-carboxylic acid, 6-chloro-3,4-dihydro-4-oxo-, 1,1-dimethylethyl ester
CAS Number:
1011482-37-3
Molecular Formula:
C18H22ClNO4
Molecular Weight:
351.8246
IUPAC Name:
tert-butyl 6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C18H22ClNO4/c1-17(2,3)24-16(22)20-8-6-18(7-9-20)11-14(21)13-10-12(19)4-5-15(13)23-18/h4-5,10H,6-9,11H2,1-3H3
InChI Key:
RUSWDSAVXRAHNN-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=O)CC1(O2)CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.124g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.827g/mol
Monoisotopic Mass:
351.124g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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