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79461-31-7 | 1,5-bis(furan-2-yl)pentan-3-ol
CAS No: 79461-31-7 Catalog No: AG0036I6 MDL No:
Product Description
Catalog Number:
AG0036I6
Chemical Name:
1,5-bis(furan-2-yl)pentan-3-ol
CAS Number:
79461-31-7
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
1,5-bis(furan-2-yl)pentan-3-ol
InChI:
InChI=1S/C13H16O3/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h1-4,9-11,14H,5-8H2
InChI Key:
SDWBGJNCWSSJIX-UHFFFAOYSA-N
SMILES:
OC(CCc1ccco1)CCc1ccco1
NSC Number:
18534
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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