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117292-39-4 | Ethanol, 2-(nonyloxy)-, 1-acetate
CAS No: 117292-39-4 Catalog No: AG000E2D MDL No:
Product Description
Catalog Number:
AG000E2D
Chemical Name:
Ethanol, 2-(nonyloxy)-, 1-acetate
CAS Number:
117292-39-4
Molecular Formula:
C13H26O3
Molecular Weight:
230.3437
IUPAC Name:
acetic acid;2-nonoxyethanol
InChI:
InChI=1S/C11H24O2.C2H4O2/c1-2-3-4-5-6-7-8-10-13-11-9-12;1-2(3)4/h12H,2-11H2,1H3;1H3,(H,3,4)
InChI Key:
AAUPXEOLHWKZLI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOCCOC(=O)C
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.199g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.363g/mol
Monoisotopic Mass:
248.199g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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