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Boc-3-aminothiophene-2-carboxylic acid

CAS No.:
101537-64-8
Catalog Number:
AG0004Q3
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$37
- +
5g
98%
In Stock USA
United States
$119
- +
25g
98%
In Stock USA
United States
$357
- +
Product Description
Catalog Number:
AG0004Q3
Chemical Name:
Boc-3-aminothiophene-2-carboxylic acid
CAS Number:
101537-64-8
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
MDL Number:
MFCD02682396
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
InChI:
InChI=1S/C10H13NO4S/c1-10(2,3)15-9(14)11-6-4-5-16-7(6)8(12)13/h4-5H,1-3H3,(H,11,14)(H,12,13)
InChI Key:
QAXIGPOUDYLWDU-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccsc1C(=O)O)OC(C)(C)C
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.057g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.277g/mol
Monoisotopic Mass:
243.057g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties