Home Carboxys 5-[(tert-butoxy)carbonyl]-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxylic acid

5-[(tert-butoxy)carbonyl]-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxylic acid

CAS No.:
1369351-45-0
Catalog Number:
AG01B2NQ
Molecular Formula:
C12H15NO4S
Molecular Weight:
269.3168
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Product Description
Catalog Number:
AG01B2NQ
Chemical Name:
5-[(tert-butoxy)carbonyl]-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxylic acid
CAS Number:
1369351-45-0
Molecular Formula:
C12H15NO4S
Molecular Weight:
269.3168
MDL Number:
MFCD22033110
IUPAC Name:
5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid
InChI:
InChI=1S/C12H15NO4S/c1-12(2,3)17-11(16)13-5-7-4-8(10(14)15)18-9(7)6-13/h4H,5-6H2,1-3H3,(H,14,15)
InChI Key:
RGOGFBDIGFXKST-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1)cc(s2)C(=O)O)OC(C)(C)C
Properties
Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.072g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.315g/mol
Monoisotopic Mass:
269.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties