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114234-83-2 | 5H-Thiopyrano[3,4-b]furan-4(7H)-one, 5-heptyl-
CAS No: 114234-83-2 Catalog No: AG000AVT MDL No:
Product Description
Catalog Number:
AG000AVT
Chemical Name:
5H-Thiopyrano[3,4-b]furan-4(7H)-one, 5-heptyl-
CAS Number:
114234-83-2
Molecular Formula:
C14H20O2S
Molecular Weight:
252.3724
IUPAC Name:
5-heptyl-7H-thiopyrano[3,4-b]furan-4-one
InChI:
InChI=1S/C14H20O2S/c1-2-3-4-5-6-7-13-14(15)11-8-9-16-12(11)10-17-13/h8-9,13H,2-7,10H2,1H3
InChI Key:
BQPNMFDQRBZUKX-UHFFFAOYSA-N
SMILES:
CCCCCCCC1SCc2c(C1=O)cco2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.118g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.372g/mol
Monoisotopic Mass:
252.118g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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