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100288-67-3 | 2-Undecen-1-ol, 1-acetate, (2E)-
CAS No: 100288-67-3 Catalog No: AG0001GR MDL No:
Product Description
Catalog Number:
AG0001GR
Chemical Name:
2-Undecen-1-ol, 1-acetate, (2E)-
CAS Number:
100288-67-3
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
IUPAC Name:
acetic acid;undec-2-en-1-ol
InChI:
InChI=1S/C11H22O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12;1-2(3)4/h9-10,12H,2-8,11H2,1H3;1H3,(H,3,4)
InChI Key:
DYFLDWQUIJBDMU-UHFFFAOYSA-N
SMILES:
CCCCCCCC/C=C/COC(=O)C
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.188g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.348g/mol
Monoisotopic Mass:
230.188g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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