AG008H9J

849928-22-9 | tert-Butyl 4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate

AG008H9J

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CAS Number	849928-22-9
Catalog Number	AG008H9J(AGN-PC-05W5L2)
Chemical Name	tert-Butyl 4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate
IUPAC Name	tert-butyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
InChI	InChI=1S/C18H23NO4/c1-17(2,3)23-16(21)19-10-8-18(9-11-19)12-14(20)13-6-4-5-7-15(13)22-18/h4-7H,8-12H2,1-3H3
InChI Key	UBIJXGGLEBMDOG-UHFFFAOYSA-N
MDL Number	MFCD05861626
Molecular Formula	C18H23NO4
Molecular Weight	317.3795
SMILES	O=C(N1CCC2(CC1)CC(C3=C(O2)C=CC=C3)=O)OC(C)(C)C
Synonyms	849928-22-9, tert-butyl 4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate, 4-oxo-2-spiro(N-Boc-piperidine-4-yl)-benzopyran, N-BOC-SPIRO[2H-1-BENZOPYRAN-2,4'-PIPERIDINE]4(3H)-ONE, TERT-BUTYL 4-OXO-3,4-DIHYDROSPIRO[1-BENZOPYRAN-2,4'-PIPERIDINE]-1'-CARBOXYLATE, 4-Oxo-2-spiro(N-Boc-piperidine-4-yl)benzopyran, AC1Q1N2G, SCHEMBL467280, SCHEMBL3702583, CTK8F0004, DTXSID40654283, UBIJXGGLEBMDOG-UHFFFAOYSA-N, KS-00001CC1, ZINC2553991, 3116AC, MFCD05861626, AKOS015950417, AB22493, QC-5122, RP07990, SS-4370, AJ-39635, AM807932, AB0049552, RT-009837, CS-0007679, FT-0686028, ST24050035, EN300-53528, 1-N-Boc- 4-Oxospiro[chroman-2,4-piperidine], 4-oxo-2-spiro(n-boc-piperidin-4-yl)benzopyran, A-2560, 1'-N-Boc-4-Oxospiro[chroman-2,4'-piperidine], 1'-N-Boc- 4-Oxospiro[chroman-2,4'-piperidine], J-515904, N-Boc-Spiro[chromene-2,4'-piperidin]-4(3H)-one, F2147-0213, N-Boc-spiro[2H-1-benzopyran-2,4'-piperidine]-4(3H)-one, tert-butyl 4-oxospiro[chromane-2,4'-piperidine]-1'-carboxylate, tert-butyl 3,4-dihydro-1'H-spiro[chromene-2,4'-piperidine]-1'-carboxylate, tert-butyl 4-oxo-3H-spiro[1-benzopyran-2,4'-piperidine]-1'-carboxylate, tert-Butyl 4-oxo-3,4-dihydro-1'H-spiro[1-benzopyran-2,4'-piperidine]-1'-carboxylate, SPIRO[2H-1-BENZOPYRAN-2,4'-PIPERIDINE]-1'-CARBOXYLIC ACID, 3,4-DIHYDRO-4-OXO-, 1,1-DIMETHYLETHYL ESTER, C18H23NO4, A13884, 4-oxo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-1'-carboxylate,

Complexity	474
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	317.163g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	317.385g/mol
Monoisotopic Mass	317.163g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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