Home Carboxys ethyl 1-benzothiophene-3-carboxylate

ethyl 1-benzothiophene-3-carboxylate

CAS No.:
19156-49-1
Catalog Number:
AG00AE3B
Molecular Formula:
C11H10O2S
Molecular Weight:
206.2609
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Product Description
Catalog Number:
AG00AE3B
Chemical Name:
ethyl 1-benzothiophene-3-carboxylate
CAS Number:
19156-49-1
Molecular Formula:
C11H10O2S
Molecular Weight:
206.2609
MDL Number:
MFCD02177119
IUPAC Name:
ethyl 1-benzothiophene-3-carboxylate
InChI:
InChI=1S/C11H10O2S/c1-2-13-11(12)9-7-14-10-6-4-3-5-8(9)10/h3-7H,2H2,1H3
InChI Key:
AYWFFQGZZINDPZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc2c1cccc2
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.04g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.259g/mol
Monoisotopic Mass:
206.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties