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84801-16-1 | 2-Dodecen-1-ol, acetate, (2E)-
CAS No: 84801-16-1 Catalog No: AG004QY1 MDL No:
Product Description
Catalog Number:
AG004QY1
Chemical Name:
2-Dodecen-1-ol, acetate, (2E)-
CAS Number:
84801-16-1
Molecular Formula:
C14H28O3
Molecular Weight:
244.3703
IUPAC Name:
acetic acid;dodec-2-en-1-ol
InChI:
InChI=1S/C12H24O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2(3)4/h10-11,13H,2-9,12H2,1H3;1H3,(H,3,4)
InChI Key:
PCXBFHDXBBPBQX-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCCCCCCCC/C=C/CO
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.204g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.375g/mol
Monoisotopic Mass:
244.204g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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