Home Other Building Blocks 2-OXO-3-(THIOPHEN-3-YL)PROPANOIC ACID

2-OXO-3-(THIOPHEN-3-YL)PROPANOIC ACID

CAS No.:
13781-71-0
Catalog Number:
AG01DVYT
Molecular Formula:
C7H6O3S
Molecular Weight:
170.1857
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Product Description
Catalog Number:
AG01DVYT
Chemical Name:
2-OXO-3-(THIOPHEN-3-YL)PROPANOIC ACID
CAS Number:
13781-71-0
Molecular Formula:
C7H6O3S
Molecular Weight:
170.1857
MDL Number:
MFCD09735967
IUPAC Name:
2-oxo-3-thiophen-3-ylpropanoic acid
InChI:
InChI=1S/C7H6O3S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4H,3H2,(H,9,10)
InChI Key:
QELZMQDJRPDHKM-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)Cc1cscc1
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:
1  
Properties