Name: Name:2-Azabicyclo[2.2.1]hept-5-ene-3-carboxylic acid, ethyl ester
Brand: Angene
SKU: AG001BTA
Rating: 90 (10 reviews)

2-Azabicyclo[2.2.1]hept-5-ene-3-carboxylic acid, ethyl ester

CAS No.:

139927-19-8

Catalog Number:

AG001BTA

Molecular Formula:

C9H13NO2

Molecular Weight:

167.2050

Catalog Number:

AG001BTA

Chemical Name:

2-Azabicyclo[2.2.1]hept-5-ene-3-carboxylic acid, ethyl ester

CAS Number:

139927-19-8

Molecular Formula:

C9H13NO2

Molecular Weight:

167.2050

MDL Number:

MFCD18833439

IUPAC Name:

ethyl 2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate

InChI:

InChI=1S/C9H13NO2/c1-2-12-9(11)8-6-3-4-7(5-6)10-8/h3-4,6-8,10H,2,5H2,1H3

InChI Key:

PPUKEAWMRSOSSL-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1NC2CC1C=C2

Complexity:

225

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

167.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

167.208g/mol

Monoisotopic Mass:

167.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8