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28793-46-6 | 7-Hexadecyn-1-ol, 1-acetate
CAS No: 28793-46-6 Catalog No: AG002WI8 MDL No:
Product Description
Catalog Number:
AG002WI8
Chemical Name:
7-Hexadecyn-1-ol, 1-acetate
CAS Number:
28793-46-6
Molecular Formula:
C18H32O2
Molecular Weight:
280.4455
IUPAC Name:
acetic acid;hexadec-7-yn-1-ol
InChI:
InChI=1S/C16H30O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2(3)4/h17H,2-8,11-16H2,1H3;1H3,(H,3,4)
InChI Key:
LYVKBCOZTVEATD-UHFFFAOYSA-N
SMILES:
CCCCCCCCC#CCCCCCCOC(=O)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.251g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.467g/mol
Monoisotopic Mass:
298.251g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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