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923817-60-1 | 3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoic acid
CAS No: 923817-60-1 Catalog No: AG019LGM MDL No:MFCD08444978
Product Description
Catalog Number:
AG019LGM
Chemical Name:
3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoic acid
CAS Number:
923817-60-1
Molecular Formula:
C12H11NO4S
Molecular Weight:
265.2850
MDL Number:
MFCD08444978
IUPAC Name:
3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoic acid
InChI:
InChI=1S/C12H11NO4S/c1-16-11-4-8(12(14)15)2-3-10(11)17-5-9-6-18-7-13-9/h2-4,6-7H,5H2,1H3,(H,14,15)
InChI Key:
RWJJZLQLLHHPML-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OCc1cscn1)C(=O)O
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.283g/mol
Monoisotopic Mass:
265.041g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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