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125301-09-9 | Heptadecen-1-ol, acetate (9CI)
CAS No: 125301-09-9 Catalog No: AG000NGZ MDL No:
Product Description
Catalog Number:
AG000NGZ
Chemical Name:
Heptadecen-1-ol, acetate (9CI)
CAS Number:
125301-09-9
Molecular Formula:
C19H36O2
Molecular Weight:
296.4879
IUPAC Name:
acetic acid;heptadec-1-en-1-ol
InChI:
InChI=1S/C17H34O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;1-2(3)4/h16-18H,2-15H2,1H3;1H3,(H,3,4)
InChI Key:
KTEHANLUUUMPEV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC=COC(=O)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.282g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.51g/mol
Monoisotopic Mass:
314.282g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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