Name: Name:2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid
Brand: Angene
SKU: AG01EM3X
Rating: 90 (10 reviews)

2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid

CAS No.:

2138009-93-3

Catalog Number:

AG01EM3X

Molecular Formula:

C23H21NO4

Molecular Weight:

375.4171

Catalog Number:

AG01EM3X

Chemical Name:

2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid

CAS Number:

2138009-93-3

Molecular Formula:

C23H21NO4

Molecular Weight:

375.4171

MDL Number:

MFCD31558792

IUPAC Name:

2-(9H-fluoren-9-ylmethoxycarbonyl)-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid

InChI:

InChI=1S/C23H21NO4/c25-22(26)19-11-14-9-10-21(19)24(12-14)23(27)28-13-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-10,14,19-21H,11-13H2,(H,25,26)

InChI Key:

QZLYQAVEICDJLQ-UHFFFAOYSA-N

SMILES:

OC(=O)C1CC2C=CC1N(C2)C(=O)OCC1c2ccccc2c2c1cccc2

Complexity:

639

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

375.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

375.424g/mol

Monoisotopic Mass:

375.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4