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183383-82-6 | 1-Azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-hydroxy-8-oxo-, (6R-trans)- (9CI)
CAS No: 183383-82-6 Catalog No: AG0027J8 MDL No:
Product Description
Catalog Number:
AG0027J8
Chemical Name:
1-Azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-hydroxy-8-oxo-, (6R-trans)- (9CI)
CAS Number:
183383-82-6
Molecular Formula:
C8H10N2O4
Molecular Weight:
198.1760
IUPAC Name:
(6R,7S)-7-amino-3-hydroxy-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChI:
InChI=1S/C8H10N2O4/c9-5-3-1-2-4(11)6(8(13)14)10(3)7(5)12/h3,5,11H,1-2,9H2,(H,13,14)/t3-,5+/m1/s1
InChI Key:
GTVQCOOORRQBER-WUJLRWPWSA-N
SMILES:
O=C1[C@@H](N)[C@@H]2N1C(=C(CC2)O)C(=O)O
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
198.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
198.178g/mol
Monoisotopic Mass:
198.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
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