Name: Name:tert-butyl 6-oxo-3,4,6,7,8,8a-hexahydroisoquinoline-2(1H)-carboxylate
Brand: Angene
SKU: AG009J00
Rating: 90 (10 reviews)

tert-butyl 6-oxo-3,4,6,7,8,8a-hexahydroisoquinoline-2(1H)-carboxylate

CAS No.:

1250442-02-4

Catalog Number:

AG009J00

Molecular Formula:

C14H21NO3

Molecular Weight:

251.3214

Catalog Number:

AG009J00

Chemical Name:

tert-butyl 6-oxo-3,4,6,7,8,8a-hexahydroisoquinoline-2(1H)-carboxylate

CAS Number:

1250442-02-4

Molecular Formula:

C14H21NO3

Molecular Weight:

251.3214

MDL Number:

MFCD18452122

IUPAC Name:

tert-butyl 6-oxo-1,3,4,7,8,8a-hexahydroisoquinoline-2-carboxylate

InChI:

InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-7-6-10-8-12(16)5-4-11(10)9-15/h8,11H,4-7,9H2,1-3H3

InChI Key:

VWXWOSCDWNXSIK-UHFFFAOYSA-N

SMILES:

O=C1CCC2C(=C1)CCN(C2)C(=O)OC(C)(C)C

Complexity:

392

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.152g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.326g/mol

Monoisotopic Mass:

251.152g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2