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290367-82-7 | 1,5-Heptadien-3-ol, 4,4,5-trifluoro-6-methyl-, 3-acetate
CAS No: 290367-82-7 Catalog No: AG002VAE MDL No:
Product Description
Catalog Number:
AG002VAE
Chemical Name:
1,5-Heptadien-3-ol, 4,4,5-trifluoro-6-methyl-, 3-acetate
CAS Number:
290367-82-7
Molecular Formula:
C10H13F3O2
Molecular Weight:
222.2042
IUPAC Name:
acetic acid;4,4,5-trifluoro-6-methylhepta-1,5-dien-3-ol
InChI:
InChI=1S/C8H11F3O.C2H4O2/c1-4-6(12)8(10,11)7(9)5(2)3;1-2(3)4/h4,6,12H,1H2,2-3H3;1H3,(H,3,4)
InChI Key:
PTPMMHKHHQRJJK-UHFFFAOYSA-N
SMILES:
C=CC(C(C(=C(C)C)F)(F)F)OC(=O)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.097g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.222g/mol
Monoisotopic Mass:
240.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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