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1577-38-4 | 9-Hexadecen-1-ol, 1-acetate
CAS No: 1577-38-4 Catalog No: AG001PNA MDL No:
Product Description
Catalog Number:
AG001PNA
Chemical Name:
9-Hexadecen-1-ol, 1-acetate
CAS Number:
1577-38-4
Molecular Formula:
C18H34O2
Molecular Weight:
282.4614
IUPAC Name:
acetic acid;hexadec-9-en-1-ol
InChI:
InChI=1S/C16H32O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2(3)4/h7-8,17H,2-6,9-16H2,1H3;1H3,(H,3,4)
InChI Key:
DKXNNMJUIZJRHD-UHFFFAOYSA-N
SMILES:
CCCCCCC=CCCCCCCCCOC(=O)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.266g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.483g/mol
Monoisotopic Mass:
300.266g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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