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676352-00-4 | 2(5H)-Furanone, 3-(9-iodo-8-nonenyl)-5-methyl-, (5S)-
CAS No: 676352-00-4 Catalog No: AG006M6Q MDL No:
Product Description
Catalog Number:
AG006M6Q
Chemical Name:
2(5H)-Furanone, 3-(9-iodo-8-nonenyl)-5-methyl-, (5S)-
CAS Number:
676352-00-4
Molecular Formula:
C14H21IO2
Molecular Weight:
348.2198
IUPAC Name:
(2S)-4-(9-iodonon-8-enyl)-2-methyl-2H-furan-5-one
InChI:
InChI=1S/C14H21IO2/c1-12-11-13(14(16)17-12)9-7-5-3-2-4-6-8-10-15/h8,10-12H,2-7,9H2,1H3/t12-/m0/s1
InChI Key:
RXCMXTPUWLQNBP-LBPRGKRZSA-N
SMILES:
IC=CCCCCCCCC1=C[C@@H](OC1=O)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
348.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.224g/mol
Monoisotopic Mass:
348.059g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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