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88017-68-9 | Oxirane, 2-[(4-methylphenyl)sulfonyl]-3-(1-naphthalenyl)-, trans-
CAS No: 88017-68-9 Catalog No: AG004NPA MDL No:
Product Description
Catalog Number:
AG004NPA
Chemical Name:
Oxirane, 2-[(4-methylphenyl)sulfonyl]-3-(1-naphthalenyl)-, trans-
CAS Number:
88017-68-9
Molecular Formula:
C19H16O3S
Molecular Weight:
324.3935
IUPAC Name:
(2S,3S)-2-(4-methylphenyl)sulfonyl-3-naphthalen-1-yloxirane
InChI:
InChI=1S/C19H16O3S/c1-13-9-11-15(12-10-13)23(20,21)19-18(22-19)17-8-4-6-14-5-2-3-7-16(14)17/h2-12,18-19H,1H3/t18-,19-/m0/s1
InChI Key:
CVUKZRYAGDNJMA-OALUTQOASA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)[C@@H]1O[C@H]1c1cccc2c1cccc2
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
324.082g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.394g/mol
Monoisotopic Mass:
324.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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