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10557-84-3 | 4-Benzyl-3,5-dimethylisoxazole
CAS No: 10557-84-3 Catalog No: AG009KPN MDL No:
Product Description
Catalog Number:
AG009KPN
Chemical Name:
4-Benzyl-3,5-dimethylisoxazole
CAS Number:
10557-84-3
IUPAC Name:
4-benzyl-3,5-dimethyl-1,2-oxazole
InChI:
InChI=1S/C12H13NO/c1-9-12(10(2)14-13-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChI Key:
JPBOUNOVBOOVFY-UHFFFAOYSA-N
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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