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920269-87-0 | Benzoic acid, 4-[4-[(2-ethylhexyl)oxy]-5-methyl-2-thiazolyl]-
CAS No: 920269-87-0 Catalog No: AG0062MD MDL No:
Product Description
Catalog Number:
AG0062MD
Chemical Name:
Benzoic acid, 4-[4-[(2-ethylhexyl)oxy]-5-methyl-2-thiazolyl]-
CAS Number:
920269-87-0
Molecular Formula:
C19H25NO3S
Molecular Weight:
347.4717
IUPAC Name:
4-[4-(2-ethylhexoxy)-5-methyl-1,3-thiazol-2-yl]benzoic acid
InChI:
InChI=1S/C19H25NO3S/c1-4-6-7-14(5-2)12-23-17-13(3)24-18(20-17)15-8-10-16(11-9-15)19(21)22/h8-11,14H,4-7,12H2,1-3H3,(H,21,22)
InChI Key:
OIQFHFJLZGMZFO-UHFFFAOYSA-N
SMILES:
CCCCC(COc1nc(sc1C)c1ccc(cc1)C(=O)O)CC
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.156g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.473g/mol
Monoisotopic Mass:
347.156g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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