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159527-24-9 | 5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 7-amino-8-oxo-
CAS No: 159527-24-9 Catalog No: AG001R58 MDL No:
Product Description
Catalog Number:
AG001R58
Chemical Name:
5-Thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid, 7-amino-8-oxo-
CAS Number:
159527-24-9
Molecular Formula:
C7H10N2O3S
Molecular Weight:
202.2309
IUPAC Name:
7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid
InChI:
InChI=1S/C7H10N2O3S/c8-4-5(10)9-3(7(11)12)1-2-13-6(4)9/h3-4,6H,1-2,8H2,(H,11,12)
InChI Key:
BWRBXPSYJVPSFY-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCSC2N1C(=O)C2N
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.228g/mol
Monoisotopic Mass:
202.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
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