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183383-87-1 | 1-Azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-formyl-8-oxo-, (6R-trans)- (9CI)
CAS No: 183383-87-1 Catalog No: AG0027J7 MDL No:
Product Description
Catalog Number:
AG0027J7
Chemical Name:
1-Azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-formyl-8-oxo-, (6R-trans)- (9CI)
CAS Number:
183383-87-1
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
IUPAC Name:
(6R,7S)-7-amino-3-formyl-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChI:
InChI=1S/C9H10N2O4/c10-6-5-2-1-4(3-12)7(9(14)15)11(5)8(6)13/h3,5-6H,1-2,10H2,(H,14,15)/t5-,6+/m1/s1
InChI Key:
MZMWNFMHKLZDAF-RITPCOANSA-N
SMILES:
O=CC1=C(C(=O)O)N2[C@H](CC1)[C@@H](C2=O)N
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
210.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.189g/mol
Monoisotopic Mass:
210.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.9
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