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101822-40-6 | Cyclopentanol, 1-[2-[(1,1-dimethylethyl)sulfonyl]-2-propen-1-yl]-
CAS No: 101822-40-6 Catalog No: AG0005MM MDL No:
Product Description
Catalog Number:
AG0005MM
Chemical Name:
Cyclopentanol, 1-[2-[(1,1-dimethylethyl)sulfonyl]-2-propen-1-yl]-
CAS Number:
101822-40-6
Molecular Formula:
C12H22O3S
Molecular Weight:
246.3663
IUPAC Name:
1-(2-tert-butylsulfonylprop-2-enyl)cyclopentan-1-ol
InChI:
InChI=1S/C12H22O3S/c1-10(16(14,15)11(2,3)4)9-12(13)7-5-6-8-12/h13H,1,5-9H2,2-4H3
InChI Key:
HJPMSWLUFMXGMT-UHFFFAOYSA-N
SMILES:
C=C(S(=O)(=O)C(C)(C)C)CC1(O)CCCC1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.129g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.365g/mol
Monoisotopic Mass:
246.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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