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1873039-47-4 | 3-(1,2-thiazol-3-yl)benzoic acid
CAS No: 1873039-47-4 Catalog No: AG01CA0E MDL No:MFCD31456488
Product Description
Catalog Number:
AG01CA0E
Chemical Name:
3-(1,2-thiazol-3-yl)benzoic acid
CAS Number:
1873039-47-4
Molecular Formula:
C10H7NO2S
Molecular Weight:
205.2331
MDL Number:
MFCD31456488
IUPAC Name:
3-(1,2-thiazol-3-yl)benzoic acid
InChI:
InChI=1S/C10H7NO2S/c12-10(13)8-3-1-2-7(6-8)9-4-5-14-11-9/h1-6H,(H,12,13)
InChI Key:
QGRRSMYFQYQZAW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1nscc1
Properties
Complexity:
222
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:
2.2
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