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1006-44-6 | 3-Thiophenecarboxylic acid, 4-hydroxy-, ethyl ester
CAS No: 1006-44-6 Catalog No: AG0002FZ MDL No:
Product Description
Catalog Number:
AG0002FZ
Chemical Name:
3-Thiophenecarboxylic acid, 4-hydroxy-, ethyl ester
CAS Number:
1006-44-6
Molecular Formula:
C7H8O3S
Molecular Weight:
172.2016
IUPAC Name:
ethyl 4-hydroxythiophene-3-carboxylate
InChI:
InChI=1S/C7H8O3S/c1-2-10-7(9)5-3-11-4-6(5)8/h3-4,8H,2H2,1H3
InChI Key:
SIQNJHUATSQPLL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cscc1O
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.019g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.198g/mol
Monoisotopic Mass:
172.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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