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72745-66-5 | 5(4H)-Isoxazolone, 3-methyl-4-(phenylmethyl)-
CAS No: 72745-66-5 Catalog No: AG005FHG MDL No:
Product Description
Catalog Number:
AG005FHG
Chemical Name:
5(4H)-Isoxazolone, 3-methyl-4-(phenylmethyl)-
CAS Number:
72745-66-5
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
4-benzyl-3-methyl-4H-1,2-oxazol-5-one
InChI:
InChI=1S/C11H11NO2/c1-8-10(11(13)14-12-8)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3
InChI Key:
UFNHQGLDHDJURB-UHFFFAOYSA-N
SMILES:
O=C1ON=C(C1Cc1ccccc1)C
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:
3
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:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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