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113789-79-0 | Furan, 2-[2-(1,3-cyclopentadien-1-yl)propyl]-5-(methylthio)-
CAS No: 113789-79-0 Catalog No: AG0009NX MDL No:
Product Description
Catalog Number:
AG0009NX
Chemical Name:
Furan, 2-[2-(1,3-cyclopentadien-1-yl)propyl]-5-(methylthio)-
CAS Number:
113789-79-0
Molecular Formula:
C13H16OS
Molecular Weight:
220.3305
IUPAC Name:
2-(2-cyclopenta-1,3-dien-1-ylpropyl)-5-methylsulfanylfuran
InChI:
InChI=1S/C13H16OS/c1-10(11-5-3-4-6-11)9-12-7-8-13(14-12)15-2/h3-5,7-8,10H,6,9H2,1-2H3
InChI Key:
GFUAMYWDZHZZIL-UHFFFAOYSA-N
SMILES:
CSc1ccc(o1)CC(C1=CC=CC1)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.33g/mol
Monoisotopic Mass:
220.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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