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141238-84-8 | 5(2H)-Isoxazolone, 2,3-dimethyl-4-(phenylmethyl)-
CAS No: 141238-84-8 Catalog No: AG001G50 MDL No:
Product Description
Catalog Number:
AG001G50
Chemical Name:
5(2H)-Isoxazolone, 2,3-dimethyl-4-(phenylmethyl)-
CAS Number:
141238-84-8
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
4-benzyl-2,3-dimethyl-1,2-oxazol-5-one
InChI:
InChI=1S/C12H13NO2/c1-9-11(12(14)15-13(9)2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChI Key:
NEDIKAGUPUHXKM-UHFFFAOYSA-N
SMILES:
O=c1on(c(c1Cc1ccccc1)C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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