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Home > Thiazole > 1017439-23-4
1017439-23-4 | 4-[(4,5-Dimethyl-2-thiazolyl)methyl]-benzoicAcid
CAS No: 1017439-23-4 Catalog No: AG01DZCD MDL No:
Product Description
Catalog Number:
AG01DZCD
Chemical Name:
4-[(4,5-Dimethyl-2-thiazolyl)methyl]-benzoicAcid
CAS Number:
1017439-23-4
IUPAC Name:
4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzoic acid
InChI:
InChI=1S/C13H13NO2S/c1-8-9(2)17-12(14-8)7-10-3-5-11(6-4-10)13(15)16/h3-6H,7H2,1-2H3,(H,15,16)
InChI Key:
XZCUXVDXKUEYCW-UHFFFAOYSA-N
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.312g/mol
Monoisotopic Mass:
247.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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