Name: Name:tert-butyl 4'-oxo-3',4'-dihydrospiro[azetidine-3,2'-[1]benzopyran]-1-carboxylate
Brand: Angene
SKU: AG01B5IN
Rating: 90 (10 reviews)

tert-butyl 4'-oxo-3',4'-dihydrospiro[azetidine-3,2'-[1]benzopyran]-1-carboxylate

CAS No.:

1359701-97-5

Catalog Number:

AG01B5IN

Molecular Formula:

C16H19NO4

Molecular Weight:

289.3264

Catalog Number:

AG01B5IN

Chemical Name:

tert-butyl 4'-oxo-3',4'-dihydrospiro[azetidine-3,2'-[1]benzopyran]-1-carboxylate

CAS Number:

1359701-97-5

Molecular Formula:

C16H19NO4

Molecular Weight:

289.3264

MDL Number:

MFCD17215665

IUPAC Name:

tert-butyl 4-oxospiro[3H-chromene-2,3'-azetidine]-1'-carboxylate

InChI:

InChI=1S/C16H19NO4/c1-15(2,3)21-14(19)17-9-16(10-17)8-12(18)11-6-4-5-7-13(11)20-16/h4-7H,8-10H2,1-3H3

InChI Key:

XTSAFRNBZZVKLZ-UHFFFAOYSA-N

SMILES:

O=C(N1CC2(C1)CC(=O)c1c(O2)cccc1)OC(C)(C)C

Complexity:

448

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

289.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

289.331g/mol

Monoisotopic Mass:

289.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9