Home Carboxys 2-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid

2-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid

CAS No.:
105508-53-0
Catalog Number:
AG01ALQX
Molecular Formula:
C8H8O4S
Molecular Weight:
200.2117
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Product Description
Catalog Number:
AG01ALQX
Chemical Name:
2-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid
CAS Number:
105508-53-0
Molecular Formula:
C8H8O4S
Molecular Weight:
200.2117
MDL Number:
MFCD19322345
IUPAC Name:
2-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid
InChI:
InChI=1S/C8H8O4S/c1-12-7(9)4-6-5(8(10)11)2-3-13-6/h2-3H,4H2,1H3,(H,10,11)
InChI Key:
FZAIXCNBBGNPOF-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1sccc1C(=O)O
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.014g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.208g/mol
Monoisotopic Mass:
200.014g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties