Home Carboxys 2-Thiophenecarboxylic acid, 4-formyl-, methyl ester

2-Thiophenecarboxylic acid, 4-formyl-, methyl ester

CAS No.:
67808-68-8
Catalog Number:
AG00636I
Molecular Formula:
C7H6O3S
Molecular Weight:
170.1857
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Product Description
Catalog Number:
AG00636I
Chemical Name:
2-Thiophenecarboxylic acid, 4-formyl-, methyl ester
CAS Number:
67808-68-8
Molecular Formula:
C7H6O3S
Molecular Weight:
170.1857
MDL Number:
MFCD06803381
IUPAC Name:
methyl 4-formylthiophene-2-carboxylate
InChI:
InChI=1S/C7H6O3S/c1-10-7(9)6-2-5(3-8)4-11-6/h2-4H,1H3
InChI Key:
ANWBBQDQVAXJJX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cs1)C=O
Properties
Complexity:
169  
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:
0
Isotope Atom Count:
0
Molecular Weight:
170.182g/mol
Monoisotopic Mass:
170.004g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties