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863763-93-3 | 2-(1,3-thiazol-4-ylmethoxy)benzoic acid
CAS No: 863763-93-3 Catalog No: AG019OKV MDL No:MFCD07339279
Product Description
Catalog Number:
AG019OKV
Chemical Name:
2-(1,3-thiazol-4-ylmethoxy)benzoic acid
CAS Number:
863763-93-3
Molecular Formula:
C11H9NO3S
Molecular Weight:
235.2591
MDL Number:
MFCD07339279
IUPAC Name:
2-(1,3-thiazol-4-ylmethoxy)benzoic acid
InChI:
InChI=1S/C11H9NO3S/c13-11(14)9-3-1-2-4-10(9)15-5-8-6-16-7-12-8/h1-4,6-7H,5H2,(H,13,14)
InChI Key:
MYZZEPDHQMACJH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1OCc1cscn1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.257g/mol
Monoisotopic Mass:
235.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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