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70255-43-5 | 9-Decenoic acid, 8-(acetyloxy)-2-(phenylsulfonyl)-, methyl ester
CAS No: 70255-43-5 Catalog No: AG005KFQ MDL No:
Product Description
Catalog Number:
AG005KFQ
Chemical Name:
9-Decenoic acid, 8-(acetyloxy)-2-(phenylsulfonyl)-, methyl ester
CAS Number:
70255-43-5
Molecular Formula:
C19H26O6S
Molecular Weight:
382.4711
IUPAC Name:
methyl 8-acetyloxy-2-(benzenesulfonyl)dec-9-enoate
InChI:
InChI=1S/C19H26O6S/c1-4-16(25-15(2)20)11-7-5-10-14-18(19(21)24-3)26(22,23)17-12-8-6-9-13-17/h4,6,8-9,12-13,16,18H,1,5,7,10-11,14H2,2-3H3
InChI Key:
VMIRDIPIAFDNKY-UHFFFAOYSA-N
SMILES:
C=CC(OC(=O)C)CCCCCC(S(=O)(=O)c1ccccc1)C(=O)OC
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.145g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.471g/mol
Monoisotopic Mass:
382.145g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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