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1365968-90-6 | 3-(4-Hydroxymethylphenyl)thiophene-2-carboxylic acid
CAS No: 1365968-90-6 Catalog No: AG01F8IQ MDL No:
Product Description
Catalog Number:
AG01F8IQ
Chemical Name:
3-(4-Hydroxymethylphenyl)thiophene-2-carboxylic acid
CAS Number:
1365968-90-6
Molecular Formula:
C12H10O3S
Molecular Weight:
234.2710
IUPAC Name:
3-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid
InChI:
InChI=1S/C12H10O3S/c13-7-8-1-3-9(4-2-8)10-5-6-16-11(10)12(14)15/h1-6,13H,7H2,(H,14,15)
InChI Key:
BCJQRJNKCKCSOI-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)c1ccsc1C(=O)O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.269g/mol
Monoisotopic Mass:
234.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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