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252928-82-8 | 3-(Oxazol-5-yl)benzoic acid
CAS No: 252928-82-8 Catalog No: AG003I5P MDL No:MFCD06797481
Product Description
Catalog Number:
AG003I5P
Chemical Name:
3-(Oxazol-5-yl)benzoic acid
CAS Number:
252928-82-8
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD06797481
IUPAC Name:
3-(1,3-oxazol-5-yl)benzoic acid
InChI:
InChI=1S/C10H7NO3/c12-10(13)8-3-1-2-7(4-8)9-5-11-6-14-9/h1-6H,(H,12,13)
InChI Key:
GDGXRJDVOKNSCX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1cnco1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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