Home Carboxys methyl 4,5,6,7-tetrahydro-1-benzothiophene-7-carboxylate

methyl 4,5,6,7-tetrahydro-1-benzothiophene-7-carboxylate

CAS No.:
110449-91-7
Catalog Number:
AG01DXCV
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
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Product Description
Catalog Number:
AG01DXCV
Chemical Name:
methyl 4,5,6,7-tetrahydro-1-benzothiophene-7-carboxylate
CAS Number:
110449-91-7
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
MDL Number:
MFCD13192822
IUPAC Name:
methyl 4,5,6,7-tetrahydro-1-benzothiophene-7-carboxylate
InChI:
InChI=1S/C10H12O2S/c1-12-10(11)8-4-2-3-7-5-6-13-9(7)8/h5-6,8H,2-4H2,1H3
InChI Key:
HXTVBBDWXGWBRC-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCc2c1scc2
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.264g/mol
Monoisotopic Mass:
196.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties