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87676-01-5 | 3-Thiophenecarboxylic acid, 4-butoxy-2-methyl-
CAS No: 87676-01-5 Catalog No: AG004GY5 MDL No:
Product Description
Catalog Number:
AG004GY5
Chemical Name:
3-Thiophenecarboxylic acid, 4-butoxy-2-methyl-
CAS Number:
87676-01-5
Molecular Formula:
C10H14O3S
Molecular Weight:
214.2814
IUPAC Name:
4-butoxy-2-methylthiophene-3-carboxylic acid
InChI:
InChI=1S/C10H14O3S/c1-3-4-5-13-8-6-14-7(2)9(8)10(11)12/h6H,3-5H2,1-2H3,(H,11,12)
InChI Key:
UFBHIZQBFBAJEG-UHFFFAOYSA-N
SMILES:
CCCCOc1csc(c1C(=O)O)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:
214.066g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.279g/mol
Monoisotopic Mass:
214.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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