Home Carboxys 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-methyl-8-oxo-

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-methyl-8-oxo-

CAS No.:
26395-99-3
Catalog Number:
AG002T1B
Molecular Formula:
C8H10N2O3S
Molecular Weight:
214.2416
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Product Description
Catalog Number:
AG002T1B
Chemical Name:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-methyl-8-oxo-
CAS Number:
26395-99-3
Molecular Formula:
C8H10N2O3S
Molecular Weight:
214.2416
MDL Number:
MFCD00151456
IUPAC Name:
7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChI:
InChI=1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)
InChI Key:
NVIAYEIXYQCDAN-UHFFFAOYSA-N
SMILES:
O=C1C(N)C2N1C(=C(CS2)C)C(=O)O
EC Number:
247-654-5
Properties
Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.041g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
214.239g/mol
Monoisotopic Mass:
214.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1  
Literature
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Properties