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923799-04-6 | 4-methoxy-3-(1,3-thiazol-4-ylmethoxy)benzoic acid
CAS No: 923799-04-6 Catalog No: AG019Q3K MDL No:MFCD08445105
Product Description
Catalog Number:
AG019Q3K
Chemical Name:
4-methoxy-3-(1,3-thiazol-4-ylmethoxy)benzoic acid
CAS Number:
923799-04-6
Molecular Formula:
C12H11NO4S
Molecular Weight:
265.2850
MDL Number:
MFCD08445105
IUPAC Name:
4-methoxy-3-(1,3-thiazol-4-ylmethoxy)benzoic acid
InChI:
InChI=1S/C12H11NO4S/c1-16-10-3-2-8(12(14)15)4-11(10)17-5-9-6-18-7-13-9/h2-4,6-7H,5H2,1H3,(H,14,15)
InChI Key:
UYQRWVFXAHTXBQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OCc1cscn1)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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