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115843-86-2 | 1,6-Hexanediol, 1-(2-furanyl)-
CAS No: 115843-86-2 Catalog No: AG000GY9 MDL No:
Product Description
Catalog Number:
AG000GY9
Chemical Name:
1,6-Hexanediol, 1-(2-furanyl)-
CAS Number:
115843-86-2
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
1-(furan-2-yl)hexane-1,6-diol
InChI:
InChI=1S/C10H16O3/c11-7-3-1-2-5-9(12)10-6-4-8-13-10/h4,6,8-9,11-12H,1-3,5,7H2
InChI Key:
FXGDHPNGQUQYNS-UHFFFAOYSA-N
SMILES:
OCCCCCC(c1ccco1)O
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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