200,000+ products from a single source!
sales@angenechem.com
183383-88-2 | 1-Azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-cyano-8-oxo-, (6R-trans)- (9CI)
CAS No: 183383-88-2 Catalog No: AG0027J6 MDL No:
Product Description
Catalog Number:
AG0027J6
Chemical Name:
1-Azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-cyano-8-oxo-, (6R-trans)- (9CI)
CAS Number:
183383-88-2
Molecular Formula:
C9H9N3O3
Molecular Weight:
207.1861
IUPAC Name:
(6R,7S)-7-amino-3-cyano-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChI:
InChI=1S/C9H9N3O3/c10-3-4-1-2-5-6(11)8(13)12(5)7(4)9(14)15/h5-6H,1-2,11H2,(H,14,15)/t5-,6+/m1/s1
InChI Key:
MLECMDWXHVGIBO-RITPCOANSA-N
SMILES:
N#CC1=C(C(=O)O)N2[C@H](CC1)[C@@H](C2=O)N
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
207.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.189g/mol
Monoisotopic Mass:
207.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.