Home Other Building Blocks 2-Thiophenepropanoic acid, α-oxo-

2-Thiophenepropanoic acid, α-oxo-

CAS No.:
15504-41-3
Catalog Number:
AG001NK8
Molecular Formula:
C7H6O3S
Molecular Weight:
170.1857
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Product Description
Catalog Number:
AG001NK8
Chemical Name:
2-Thiophenepropanoic acid, α-oxo-
CAS Number:
15504-41-3
Molecular Formula:
C7H6O3S
Molecular Weight:
170.1857
MDL Number:
MFCD04971657
IUPAC Name:
2-oxo-3-thiophen-2-ylpropanoic acid
InChI:
InChI=1S/C7H6O3S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3H,4H2,(H,9,10)
InChI Key:
DFEKJNVSDUKUIR-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)Cc1cccs1
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.004g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.182g/mol
Monoisotopic Mass:
170.004g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties