Home Other Building Blocks 5-(TERT-BUTOXYCARBONYL)-5,6-DIHYDRO-4H-PYRROLO[3,4-D]THIAZOLE-2-CARBOXYLIC ACID

5-(TERT-BUTOXYCARBONYL)-5,6-DIHYDRO-4H-PYRROLO[3,4-D]THIAZOLE-2-CARBOXYLIC ACID

CAS No.:
774533-81-2
Catalog Number:
AG01DLYR
Molecular Formula:
C11H14N2O4S
Molecular Weight:
270.3049
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Product Description
Catalog Number:
AG01DLYR
Chemical Name:
5-(TERT-BUTOXYCARBONYL)-5,6-DIHYDRO-4H-PYRROLO[3,4-D]THIAZOLE-2-CARBOXYLIC ACID
CAS Number:
774533-81-2
Molecular Formula:
C11H14N2O4S
Molecular Weight:
270.3049
IUPAC Name:
5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carboxylic acid
InChI:
InChI=1S/C11H14N2O4S/c1-11(2,3)17-10(16)13-4-6-7(5-13)18-8(12-6)9(14)15/h4-5H2,1-3H3,(H,14,15)
InChI Key:
HJCSXJBMSSXPGR-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1)nc(s2)C(=O)O)OC(C)(C)C
Properties
Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.067g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
270.303g/mol
Monoisotopic Mass:
270.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties