Name: Name:tert-butyl 6-oxo-decahydroisoquinoline-2-carboxylate
Brand: Angene
SKU: AG01DYX6
Rating: 90 (10 reviews)

tert-butyl 6-oxo-decahydroisoquinoline-2-carboxylate

CAS No.:

1782700-60-0

Catalog Number:

AG01DYX6

Molecular Formula:

C14H23NO3

Molecular Weight:

253.3373

Catalog Number:

AG01DYX6

Chemical Name:

tert-butyl 6-oxo-decahydroisoquinoline-2-carboxylate

CAS Number:

1782700-60-0

Molecular Formula:

C14H23NO3

Molecular Weight:

253.3373

MDL Number:

MFCD24533320

IUPAC Name:

tert-butyl 6-oxo-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-2-carboxylate

InChI:

InChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-7-6-10-8-12(16)5-4-11(10)9-15/h10-11H,4-9H2,1-3H3

InChI Key:

MNWQGQXNDLLERG-UHFFFAOYSA-N

SMILES:

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

Complexity:

345

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.342g/mol

Monoisotopic Mass:

253.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6