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898759-53-0 | 2-(2-METHYLBENZOYL)OXAZOLE
CAS No: 898759-53-0 Catalog No: AG006NX4 MDL No:
Product Description
Catalog Number:
AG006NX4
Chemical Name:
2-(2-METHYLBENZOYL)OXAZOLE
CAS Number:
898759-53-0
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
IUPAC Name:
(2-methylphenyl)-(1,3-oxazol-2-yl)methanone
InChI:
InChI=1S/C11H9NO2/c1-8-4-2-3-5-9(8)10(13)11-12-6-7-14-11/h2-7H,1H3
InChI Key:
PQHRYSRGUSAEID-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C(=O)c1ncco1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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