Home Carboxys 3-Formylthiophene-2-carboxylic acid methyl ester

3-Formylthiophene-2-carboxylic acid methyl ester

CAS No.:
67808-71-3
Catalog Number:
AG00FQP7
Molecular Formula:
C7H6O3S
Molecular Weight:
170.1857
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Product Description
Catalog Number:
AG00FQP7
Chemical Name:
3-Formylthiophene-2-carboxylic acid methyl ester
CAS Number:
67808-71-3
Molecular Formula:
C7H6O3S
Molecular Weight:
170.1857
MDL Number:
MFCD01859944
IUPAC Name:
methyl 3-formylthiophene-2-carboxylate
InChI:
InChI=1S/C7H6O3S/c1-10-7(9)6-5(4-8)2-3-11-6/h2-4H,1H3
InChI Key:
PPNVUVBYMGWBSG-UHFFFAOYSA-N
SMILES:
COC(=O)c1sccc1C=O
NSC Number:
81777
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