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122705-57-1 | 4-Tridecen-1-ol, 1-acetate
CAS No: 122705-57-1 Catalog No: AG000J10 MDL No:
Product Description
Catalog Number:
AG000J10
Chemical Name:
4-Tridecen-1-ol, 1-acetate
CAS Number:
122705-57-1
Molecular Formula:
C15H28O2
Molecular Weight:
240.3816
IUPAC Name:
acetic acid;tridec-4-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/h9-10,14H,2-8,11-13H2,1H3;1H3,(H,3,4)
InChI Key:
WHWMFNKAVOPAAQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCC=CCCCOC(=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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