Home Carboxys tert-butyl 5-methylthiophene-2-carboxylate

tert-butyl 5-methylthiophene-2-carboxylate

CAS No.:
956502-03-7
Catalog Number:
AG01BB9P
Molecular Formula:
C10H14O2S
Molecular Weight:
198.2820
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Product Description
Catalog Number:
AG01BB9P
Chemical Name:
tert-butyl 5-methylthiophene-2-carboxylate
CAS Number:
956502-03-7
Molecular Formula:
C10H14O2S
Molecular Weight:
198.2820
MDL Number:
MFCD19600073
IUPAC Name:
tert-butyl 5-methylthiophene-2-carboxylate
InChI:
InChI=1S/C10H14O2S/c1-7-5-6-8(13-7)9(11)12-10(2,3)4/h5-6H,1-4H3
InChI Key:
GOENRCUFJQBADS-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)C(=O)OC(C)(C)C
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.071g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.28g/mol
Monoisotopic Mass:
198.071g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties