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140705-18-6 | 2(3H)-Furanone, dihydro-5-[3-[(2-hydroxyethyl)thio]-5-methoxy-4-propoxyphenyl]-, (S)- (9CI)
CAS No: 140705-18-6 Catalog No: AG001CPM MDL No:
Product Description
Catalog Number:
AG001CPM
Chemical Name:
2(3H)-Furanone, dihydro-5-[3-[(2-hydroxyethyl)thio]-5-methoxy-4-propoxyphenyl]-, (S)- (9CI)
CAS Number:
140705-18-6
Molecular Formula:
C16H22O5S
Molecular Weight:
326.4079
IUPAC Name:
(5S)-5-[3-(2-hydroxyethylsulfanyl)-5-methoxy-4-propoxyphenyl]oxolan-2-one
InChI:
InChI=1S/C16H22O5S/c1-3-7-20-16-13(19-2)9-11(10-14(16)22-8-6-17)12-4-5-15(18)21-12/h9-10,12,17H,3-8H2,1-2H3/t12-/m0/s1
InChI Key:
WUGMAGKEBSQQRF-LBPRGKRZSA-N
SMILES:
OCCSc1cc(cc(c1OCCC)OC)[C@@H]1CCC(=O)O1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
326.119g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.407g/mol
Monoisotopic Mass:
326.119g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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