Home Carboxys 2-(Acetylamino)-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophene-3-carboxylic acid

2-(Acetylamino)-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophene-3-carboxylic acid

CAS No.:
63826-34-6
Catalog Number:
AG00EC3R
Molecular Formula:
C12H15NO3S
Molecular Weight:
253.3174
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
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Product Description
Catalog Number:
AG00EC3R
Chemical Name:
2-(Acetylamino)-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophene-3-carboxylic acid
CAS Number:
63826-34-6
Molecular Formula:
C12H15NO3S
Molecular Weight:
253.3174
MDL Number:
MFCD00445707
IUPAC Name:
2-acetamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid
InChI:
InChI=1S/C12H15NO3S/c1-7(14)13-11-10(12(15)16)8-5-3-2-4-6-9(8)17-11/h2-6H2,1H3,(H,13,14)(H,15,16)
InChI Key:
DEDWHJVDTMELPW-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1sc2c(c1C(=O)O)CCCCC2
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.077g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
253.316g/mol
Monoisotopic Mass:
253.077g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties