Name: Name:N-BOC-3A,4,7,7A-TETRAHYDROISOINDOLE
Brand: Angene
SKU: AG00DLH9
Rating: 90 (10 reviews)

N-BOC-3A,4,7,7A-TETRAHYDROISOINDOLE

CAS No.:

474925-37-6

Catalog Number:

AG00DLH9

Molecular Formula:

C13H21NO2

Molecular Weight:

223.3113

Catalog Number:

AG00DLH9

Chemical Name:

N-BOC-3A,4,7,7A-TETRAHYDROISOINDOLE

CAS Number:

474925-37-6

Molecular Formula:

C13H21NO2

Molecular Weight:

223.3113

MDL Number:

MFCD18064569

IUPAC Name:

tert-butyl 1,3,3a,4,7,7a-hexahydroisoindole-2-carboxylate

InChI:

InChI=1S/C13H21NO2/c1-13(2,3)16-12(15)14-8-10-6-4-5-7-11(10)9-14/h4-5,10-11H,6-9H2,1-3H3

InChI Key:

BQRMVHVRBBRSOH-UHFFFAOYSA-N

SMILES:

O=C(N1C[C@@H]2[C@H](C1)CC=CC2)OC(C)(C)C

Complexity:

288

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.157g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

223.316g/mol

Monoisotopic Mass:

223.157g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6