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79681-30-4 | 2-Cyclohexen-1-ol, 1-butyl-3-(phenylselenonyl)-
CAS No: 79681-30-4 Catalog No: AG0057BG MDL No:
Product Description
Catalog Number:
AG0057BG
Chemical Name:
2-Cyclohexen-1-ol, 1-butyl-3-(phenylselenonyl)-
CAS Number:
79681-30-4
Molecular Formula:
C16H22O3Se
Molecular Weight:
341.3041
IUPAC Name:
1-butyl-3-phenylselenonylcyclohex-2-en-1-ol
InChI:
InChI=1S/C16H22O3Se/c1-2-3-11-16(17)12-7-10-15(13-16)20(18,19)14-8-5-4-6-9-14/h4-6,8-9,13,17H,2-3,7,10-12H2,1H3
InChI Key:
MVPPRYMIWLQECT-UHFFFAOYSA-N
SMILES:
CCCCC1(O)CCCC(=C1)[Se](=O)(=O)c1ccccc1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.32g/mol
Monoisotopic Mass:
342.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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