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89165-65-1 | Benzene, 1-methyl-4-[[(2-methylenecyclopentyl)methyl]sulfonyl]-
CAS No: 89165-65-1 Catalog No: AG003WM2 MDL No:
Product Description
Catalog Number:
AG003WM2
Chemical Name:
Benzene, 1-methyl-4-[[(2-methylenecyclopentyl)methyl]sulfonyl]-
CAS Number:
89165-65-1
Molecular Formula:
C14H18O2S
Molecular Weight:
250.3565
IUPAC Name:
1-methyl-4-[(2-methylidenecyclopentyl)methylsulfonyl]benzene
InChI:
InChI=1S/C14H18O2S/c1-11-6-8-14(9-7-11)17(15,16)10-13-5-3-4-12(13)2/h6-9,13H,2-5,10H2,1H3
InChI Key:
WRQHLPBHBXGMBF-UHFFFAOYSA-N
SMILES:
C=C1CCCC1CS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.356g/mol
Monoisotopic Mass:
250.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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