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88646-97-3 | 2-Furannonanol, 3-methyl-5-pentyl-, acetate
CAS No: 88646-97-3 Catalog No: AG0049CJ MDL No:
Product Description
Catalog Number:
AG0049CJ
Chemical Name:
2-Furannonanol, 3-methyl-5-pentyl-, acetate
CAS Number:
88646-97-3
Molecular Formula:
C21H38O4
Molecular Weight:
354.5240
IUPAC Name:
acetic acid;9-(3-methyl-5-pentylfuran-2-yl)nonan-1-ol
InChI:
InChI=1S/C19H34O2.C2H4O2/c1-3-4-10-13-18-16-17(2)19(21-18)14-11-8-6-5-7-9-12-15-20;1-2(3)4/h16,20H,3-15H2,1-2H3;1H3,(H,3,4)
InChI Key:
RZJCGUXWWLNHMS-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCCCCc1oc(c(c1)C)CCCCCCCCCO
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.277g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
354.531g/mol
Monoisotopic Mass:
354.277g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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