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834885-16-4 | Isoxazole, 4,5-dihydro-5,5-dimethyl-3-[(2-naphthalenylmethyl)sulfonyl]-
CAS No: 834885-16-4 Catalog No: AG0059F2 MDL No:
Product Description
Catalog Number:
AG0059F2
Chemical Name:
Isoxazole, 4,5-dihydro-5,5-dimethyl-3-[(2-naphthalenylmethyl)sulfonyl]-
CAS Number:
834885-16-4
Molecular Formula:
C16H17NO3S
Molecular Weight:
303.3761
IUPAC Name:
5,5-dimethyl-3-(naphthalen-2-ylmethylsulfonyl)-4H-1,2-oxazole
InChI:
InChI=1S/C16H17NO3S/c1-16(2)10-15(17-20-16)21(18,19)11-12-7-8-13-5-3-4-6-14(13)9-12/h3-9H,10-11H2,1-2H3
InChI Key:
KYSTZSKNZFNDIE-UHFFFAOYSA-N
SMILES:
CC1(C)ON=C(C1)S(=O)(=O)Cc1ccc2c(c1)cccc2
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.093g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.376g/mol
Monoisotopic Mass:
303.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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