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76859-10-4 | 2-Furannonanol, 3-methyl-5-pentyl-
CAS No: 76859-10-4 Catalog No: AG00587Y MDL No:
Product Description
Catalog Number:
AG00587Y
Chemical Name:
2-Furannonanol, 3-methyl-5-pentyl-
CAS Number:
76859-10-4
Molecular Formula:
C19H34O2
Molecular Weight:
294.4721
IUPAC Name:
9-(3-methyl-5-pentylfuran-2-yl)nonan-1-ol
InChI:
InChI=1S/C19H34O2/c1-3-4-10-13-18-16-17(2)19(21-18)14-11-8-6-5-7-9-12-15-20/h16,20H,3-15H2,1-2H3
InChI Key:
MIRYRIPCPFOHJM-UHFFFAOYSA-N
SMILES:
CCCCCc1oc(c(c1)C)CCCCCCCCCO
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.256g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.479g/mol
Monoisotopic Mass:
294.256g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
33.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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