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Home > Thiazole > 1502468-19-0
1502468-19-0 | 4-(3-oxo-2,3-dihydro-1,2-thiazol-5-yl)benzoic acid
CAS No: 1502468-19-0 Catalog No: AG01EKTA MDL No:
Product Description
Catalog Number:
AG01EKTA
Chemical Name:
4-(3-oxo-2,3-dihydro-1,2-thiazol-5-yl)benzoic acid
CAS Number:
1502468-19-0
Molecular Formula:
C10H7NO3S
Molecular Weight:
221.2325
IUPAC Name:
4-(3-oxo-1,2-thiazol-5-yl)benzoic acid
InChI:
InChI=1S/C10H7NO3S/c12-9-5-8(15-11-9)6-1-3-7(4-2-6)10(13)14/h1-5H,(H,11,12)(H,13,14)
InChI Key:
APICOYKTGXZQLM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1s[nH]c(=O)c1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.23g/mol
Monoisotopic Mass:
221.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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