Name: Name:2-(methoxycarbonyl)-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid
Brand: Angene
SKU: AG01C3M9
Rating: 90 (10 reviews)

2-(methoxycarbonyl)-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid

CAS No.:

1822965-71-8

Catalog Number:

AG01C3M9

Molecular Formula:

C10H13NO4

Molecular Weight:

211.2145

Catalog Number:

AG01C3M9

Chemical Name:

2-(methoxycarbonyl)-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid

CAS Number:

1822965-71-8

Molecular Formula:

C10H13NO4

Molecular Weight:

211.2145

MDL Number:

MFCD24657004

IUPAC Name:

2-methoxycarbonyl-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid

InChI:

InChI=1S/C10H13NO4/c1-15-10(14)11-5-6-2-3-8(11)7(4-6)9(12)13/h2-3,6-8H,4-5H2,1H3,(H,12,13)

InChI Key:

BTOHJBOMOPILLP-UHFFFAOYSA-N

SMILES:

COC(=O)N1CC2C=CC1C(C2)C(=O)O

Complexity:

325

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

211.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.217g/mol

Monoisotopic Mass:

211.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3