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250161-45-6 | Benzoic acid, 4-(5-oxazolyl)-
CAS No: 250161-45-6 Catalog No: AG002Q6Y MDL No:MFCD02682033
Product Description
Catalog Number:
AG002Q6Y
Chemical Name:
Benzoic acid, 4-(5-oxazolyl)-
CAS Number:
250161-45-6
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD02682033
IUPAC Name:
4-(1,3-oxazol-5-yl)benzoic acid
InChI:
InChI=1S/C10H7NO3/c12-10(13)8-3-1-7(2-4-8)9-5-11-6-14-9/h1-6H,(H,12,13)
InChI Key:
MCPBXFWYUHYSIZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1cnco1
Properties
Complexity:
211
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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