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Home > Other Heterocycles > 958575-85-4
958575-85-4 | 6-METHYL-4-OXO-2-SPIRO(N-BOC-PIPERIDINE-4-YL)-BENZOPYRAN
CAS No: 958575-85-4 Catalog No: AG01BOWO MDL No:MFCD11840351
Product Description
Catalog Number:
AG01BOWO
Chemical Name:
6-METHYL-4-OXO-2-SPIRO(N-BOC-PIPERIDINE-4-YL)-BENZOPYRAN
CAS Number:
958575-85-4
Molecular Formula:
C19H25NO4
Molecular Weight:
331.4061
MDL Number:
MFCD11840351
IUPAC Name:
tert-butyl 6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C19H25NO4/c1-13-5-6-16-14(11-13)15(21)12-19(23-16)7-9-20(10-8-19)17(22)24-18(2,3)4/h5-6,11H,7-10,12H2,1-4H3
InChI Key:
SBLPVMNSMSYIPK-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(=O)CC1(O2)CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.178g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.412g/mol
Monoisotopic Mass:
331.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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