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26447-85-8 | 2-Thiopheneacetic acid, α-hydroxy-α-2-thienyl-, methyl ester
CAS No: 26447-85-8 Catalog No: AG002T9R MDL No:MFCD08458380
Product Description
Catalog Number:
AG002T9R
Chemical Name:
2-Thiopheneacetic acid, α-hydroxy-α-2-thienyl-, methyl ester
CAS Number:
26447-85-8
Molecular Formula:
C11H10O3S2
Molecular Weight:
254.3253
MDL Number:
MFCD08458380
IUPAC Name:
methyl 2-hydroxy-2,2-dithiophen-2-ylacetate
InChI:
InChI=1S/C11H10O3S2/c1-14-10(12)11(13,8-4-2-6-15-8)9-5-3-7-16-9/h2-7,13H,1H3
InChI Key:
SYHWYWHVEQQDMO-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1cccs1)(c1cccs1)O
EC Number:
607-936-4
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.318g/mol
Monoisotopic Mass:
254.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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