Home Other Building Blocks 4-(thiophen-2-ylformamido)butanoic acid

4-(thiophen-2-ylformamido)butanoic acid

CAS No.:
392716-17-5
Catalog Number:
AG019P3H
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
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Product Description
Catalog Number:
AG019P3H
Chemical Name:
4-(thiophen-2-ylformamido)butanoic acid
CAS Number:
392716-17-5
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
MDL Number:
MFCD01100859
IUPAC Name:
4-(thiophene-2-carbonylamino)butanoic acid
InChI:
InChI=1S/C9H11NO3S/c11-8(12)4-1-5-10-9(13)7-3-2-6-14-7/h2-3,6H,1,4-5H2,(H,10,13)(H,11,12)
InChI Key:
GHINVXYOLGVLER-UHFFFAOYSA-N
SMILES:
OC(=O)CCCNC(=O)c1cccs1
Properties
Complexity:
220  
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:
5  
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties