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100612-04-2 | Furan, 2,2'-(1-ethylpropylidene)bis-
CAS No: 100612-04-2 Catalog No: AG0002I9 MDL No:
Product Description
Catalog Number:
AG0002I9
Chemical Name:
Furan, 2,2'-(1-ethylpropylidene)bis-
CAS Number:
100612-04-2
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
2-[3-(furan-2-yl)pentan-3-yl]furan
InChI:
InChI=1S/C13H16O2/c1-3-13(4-2,11-7-5-9-14-11)12-8-6-10-15-12/h5-10H,3-4H2,1-2H3
InChI Key:
LVDANDMXAHYWSA-UHFFFAOYSA-N
SMILES:
CCC(c1ccco1)(c1ccco1)CC
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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