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73028-21-4 | 3(2H)-Isoxazolone, 5-methyl-2-(phenylmethyl)-
CAS No: 73028-21-4 Catalog No: AG005CXR MDL No:
Product Description
Catalog Number:
AG005CXR
Chemical Name:
3(2H)-Isoxazolone, 5-methyl-2-(phenylmethyl)-
CAS Number:
73028-21-4
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
2-benzyl-5-methyl-1,2-oxazol-3-one
InChI:
InChI=1S/C11H11NO2/c1-9-7-11(13)12(14-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChI Key:
JNYPOJQDTGBJHF-UHFFFAOYSA-N
SMILES:
Cc1on(c(=O)c1)Cc1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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