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89328-35-8 | Cyclododecanone, 2-[3-(phenylsulfonyl)propyl]-
CAS No: 89328-35-8 Catalog No: AG003YEV MDL No:
Product Description
Catalog Number:
AG003YEV
Chemical Name:
Cyclododecanone, 2-[3-(phenylsulfonyl)propyl]-
CAS Number:
89328-35-8
Molecular Formula:
C21H32O3S
Molecular Weight:
364.5420
IUPAC Name:
2-[3-(benzenesulfonyl)propyl]cyclododecan-1-one
InChI:
InChI=1S/C21H32O3S/c22-21-17-11-6-4-2-1-3-5-8-13-19(21)14-12-18-25(23,24)20-15-9-7-10-16-20/h7,9-10,15-16,19H,1-6,8,11-14,17-18H2
InChI Key:
HZSVJNOZGIHPIZ-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCCCCC1CCCS(=O)(=O)c1ccccc1
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.207g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.544g/mol
Monoisotopic Mass:
364.207g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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