Home Carboxys 4-(methoxymethyl)thiophene-2-carboxylic acid

4-(methoxymethyl)thiophene-2-carboxylic acid

CAS No.:
54796-49-5
Catalog Number:
AG01B66U
Molecular Formula:
C7H8O3S
Molecular Weight:
172.2016
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Product Description
Catalog Number:
AG01B66U
Chemical Name:
4-(methoxymethyl)thiophene-2-carboxylic acid
CAS Number:
54796-49-5
Molecular Formula:
C7H8O3S
Molecular Weight:
172.2016
MDL Number:
MFCD16621841
IUPAC Name:
4-(methoxymethyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C7H8O3S/c1-10-3-5-2-6(7(8)9)11-4-5/h2,4H,3H2,1H3,(H,8,9)
InChI Key:
DXFUEEMJYGBLKZ-UHFFFAOYSA-N
SMILES:
COCc1csc(c1)C(=O)O
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.019g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.198g/mol
Monoisotopic Mass:
172.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties