Name: Name:3-Azabicyclo[3.2.1]octane-3-carboxylic acid, 8-formyl-,1,1-dimethylethyl ester
Brand: Angene
SKU: AG00IL8G
Rating: 90 (10 reviews)

3-Azabicyclo[3.2.1]octane-3-carboxylic acid, 8-formyl-,1,1-dimethylethyl ester

CAS No.:

637301-17-8

Catalog Number:

AG00IL8G

Molecular Formula:

C13H21NO3

Molecular Weight:

239.3107

Catalog Number:

AG00IL8G

Chemical Name:

3-Azabicyclo[3.2.1]octane-3-carboxylic acid, 8-formyl-,1,1-dimethylethyl ester

CAS Number:

637301-17-8

Molecular Formula:

C13H21NO3

Molecular Weight:

239.3107

IUPAC Name:

tert-butyl 8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylate

InChI:

InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-6-9-4-5-10(7-14)11(9)8-15/h8-11H,4-7H2,1-3H3

InChI Key:

BZDUCVSSUFQWCA-UHFFFAOYSA-N

SMILES:

O=CC1C2CCC1CN(C2)C(=O)OC(C)(C)C

Complexity:

307

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:

1.4