Home Other Building Blocks 3-acetamido-3-(thiophen-2-yl)propanoic acid

3-acetamido-3-(thiophen-2-yl)propanoic acid

CAS No.:
382609-95-2
Catalog Number:
AG019KBS
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
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Product Description
Catalog Number:
AG019KBS
Chemical Name:
3-acetamido-3-(thiophen-2-yl)propanoic acid
CAS Number:
382609-95-2
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
MDL Number:
MFCD01084326
IUPAC Name:
3-acetamido-3-thiophen-2-ylpropanoic acid
InChI:
InChI=1S/C9H11NO3S/c1-6(11)10-7(5-9(12)13)8-3-2-4-14-8/h2-4,7H,5H2,1H3,(H,10,11)(H,12,13)
InChI Key:
QWGNBONLKWHDHS-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1cccs1)NC(=O)C
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.046g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
213.251g/mol
Monoisotopic Mass:
213.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties