Name: Name:tert-butyl 4-oxohexahydro-1H-isoindole-2(3H)-carboxylate
Brand: Angene
SKU: AG00H2U7
Rating: 90 (10 reviews)

tert-butyl 4-oxohexahydro-1H-isoindole-2(3H)-carboxylate

CAS No.:

879687-92-0

Catalog Number:

AG00H2U7

Molecular Formula:

C13H21NO3

Molecular Weight:

239.3107

Catalog Number:

AG00H2U7

Chemical Name:

tert-butyl 4-oxohexahydro-1H-isoindole-2(3H)-carboxylate

CAS Number:

879687-92-0

Molecular Formula:

C13H21NO3

Molecular Weight:

239.3107

MDL Number:

MFCD17170012

IUPAC Name:

tert-butyl 7-oxo-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylate

InChI:

InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-7-9-5-4-6-11(15)10(9)8-14/h9-10H,4-8H2,1-3H3

InChI Key:

SGPWUVURFSJYQO-UHFFFAOYSA-N

SMILES:

O=C(N1CC2C(C1)CCCC2=O)OC(C)(C)C

Complexity:

332

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.152g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.315g/mol

Monoisotopic Mass:

239.152g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3