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1349718-52-0 | 5-(3-Hydroxymethylphenyl)thiophene-3-carboxylic acid
CAS No: 1349718-52-0 Catalog No: AG01F8H6 MDL No:
Product Description
Catalog Number:
AG01F8H6
Chemical Name:
5-(3-Hydroxymethylphenyl)thiophene-3-carboxylic acid
CAS Number:
1349718-52-0
Molecular Formula:
C12H10O3S
Molecular Weight:
234.2710
IUPAC Name:
5-[3-(hydroxymethyl)phenyl]thiophene-3-carboxylic acid
InChI:
InChI=1S/C12H10O3S/c13-6-8-2-1-3-9(4-8)11-5-10(7-16-11)12(14)15/h1-5,7,13H,6H2,(H,14,15)
InChI Key:
ODUTYMPXYATQQZ-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)c1scc(c1)C(=O)O
Properties
Complexity:
257
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:
1.9
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