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23244-37-3 | 5(4H)-Isoxazolone, 4-methyl-3-phenyl-
CAS No: 23244-37-3 Catalog No: AG002MNR MDL No:
Product Description
Catalog Number:
AG002MNR
Chemical Name:
5(4H)-Isoxazolone, 4-methyl-3-phenyl-
CAS Number:
23244-37-3
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
4-methyl-3-phenyl-4H-1,2-oxazol-5-one
InChI:
InChI=1S/C10H9NO2/c1-7-9(11-13-10(7)12)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
MQVKJAPPJMXSIB-UHFFFAOYSA-N
SMILES:
CC1C(=O)ON=C1c1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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