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923697-26-1 | 3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CAS No: 923697-26-1 Catalog No: AG019LCT MDL No:MFCD08445235
Product Description
Catalog Number:
AG019LCT
Chemical Name:
3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CAS Number:
923697-26-1
Molecular Formula:
C13H13NO4S
Molecular Weight:
279.3116
MDL Number:
MFCD08445235
IUPAC Name:
3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
InChI:
InChI=1S/C13H13NO4S/c1-8-14-10(7-19-8)6-18-11-4-3-9(13(15)16)5-12(11)17-2/h3-5,7H,6H2,1-2H3,(H,15,16)
InChI Key:
DEHOKLORVVDRPM-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OCc1csc(n1)C)C(=O)O
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.31g/mol
Monoisotopic Mass:
279.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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