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877758-98-0 | 4-(Thiazol-4-yl)benzoic acid
CAS No: 877758-98-0 Catalog No: AG00IERB MDL No:MFCD11640416
Product Description
Catalog Number:
AG00IERB
Chemical Name:
4-(Thiazol-4-yl)benzoic acid
CAS Number:
877758-98-0
Molecular Formula:
C10H7NO2S
Molecular Weight:
205.2331
MDL Number:
MFCD11640416
IUPAC Name:
4-(1,3-thiazol-4-yl)benzoic acid
InChI:
InChI=1S/C10H7NO2S/c12-10(13)8-3-1-7(2-4-8)9-5-14-6-11-9/h1-6H,(H,12,13)
InChI Key:
DJJLKDMESZPSAM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1cscn1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.231g/mol
Monoisotopic Mass:
205.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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