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122833-94-7 | Benzene, 1-[(R)-[(1E)-3,3-dimethyl-1-buten-1-yl]sulfinyl]-4-methyl-
CAS No: 122833-94-7 Catalog No: AG000JKB MDL No:
Product Description
Catalog Number:
AG000JKB
Chemical Name:
Benzene, 1-[(R)-[(1E)-3,3-dimethyl-1-buten-1-yl]sulfinyl]-4-methyl-
CAS Number:
122833-94-7
Molecular Formula:
C13H18OS
Molecular Weight:
222.3464
IUPAC Name:
1-(3,3-dimethylbut-1-enylsulfinyl)-4-methylbenzene
InChI:
InChI=1S/C13H18OS/c1-11-5-7-12(8-6-11)15(14)10-9-13(2,3)4/h5-10H,1-4H3
InChI Key:
IMPAVUCQFQBNIJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)[S@](=O)/C=C/C(C)(C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.346g/mol
Monoisotopic Mass:
222.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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