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141764-76-3 | 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-(phenylthio)-, ethyl ester
CAS No: 141764-76-3 Catalog No: AG001H0N MDL No:
Product Description
Catalog Number:
AG001H0N
Chemical Name:
3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-(phenylthio)-, ethyl ester
CAS Number:
141764-76-3
Molecular Formula:
C14H16O3S
Molecular Weight:
264.3400
IUPAC Name:
ethyl 5-methyl-2-phenylsulfanyl-2,3-dihydrofuran-4-carboxylate
InChI:
InChI=1S/C14H16O3S/c1-3-16-14(15)12-9-13(17-10(12)2)18-11-7-5-4-6-8-11/h4-8,13H,3,9H2,1-2H3
InChI Key:
NAGRKMFROPZTOC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(C)OC(C1)Sc1ccccc1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.339g/mol
Monoisotopic Mass:
264.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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