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728032-42-6 | 2-Thiophenecarboxylicacid, 4-hydroxy-3-methyl-
CAS No: 728032-42-6 Catalog No: AG005EM8 MDL No:
Product Description
Catalog Number:
AG005EM8
Chemical Name:
2-Thiophenecarboxylicacid, 4-hydroxy-3-methyl-
CAS Number:
728032-42-6
Molecular Formula:
C6H6O3S
Molecular Weight:
158.1750
IUPAC Name:
4-hydroxy-3-methylthiophene-2-carboxylic acid
InChI:
InChI=1S/C6H6O3S/c1-3-4(7)2-10-5(3)6(8)9/h2,7H,1H3,(H,8,9)
InChI Key:
UAJOSISMPJVZDL-UHFFFAOYSA-N
SMILES:
OC(=O)c1scc(c1C)O
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.171g/mol
Monoisotopic Mass:
158.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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