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138884-58-9 | 8-Tridecen-1-ol, 1-acetate
CAS No: 138884-58-9 Catalog No: AG0019RB MDL No:
Product Description
Catalog Number:
AG0019RB
Chemical Name:
8-Tridecen-1-ol, 1-acetate
CAS Number:
138884-58-9
Molecular Formula:
C15H28O2
Molecular Weight:
240.3816
IUPAC Name:
acetic acid;tridec-8-en-1-ol
InChI:
InChI=1S/C13H26O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-2(3)4/h5-6,14H,2-4,7-13H2,1H3;1H3,(H,3,4)
InChI Key:
BYPIFPVVLOVDDO-UHFFFAOYSA-N
SMILES:
CCCCC=CCCCCCCCOC(=O)C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.219g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.402g/mol
Monoisotopic Mass:
258.219g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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