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140908-98-1 | 4-Undecen-1-ol, 1-acetate
CAS No: 140908-98-1 Catalog No: AG001CZ5 MDL No:
Product Description
Catalog Number:
AG001CZ5
Chemical Name:
4-Undecen-1-ol, 1-acetate
CAS Number:
140908-98-1
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
IUPAC Name:
acetic acid;undec-4-en-1-ol
InChI:
InChI=1S/C11H22O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12;1-2(3)4/h7-8,12H,2-6,9-11H2,1H3;1H3,(H,3,4)
InChI Key:
GFSISVOAZQNMFI-UHFFFAOYSA-N
SMILES:
CCCCCCC=CCCCOC(=O)C
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.188g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.348g/mol
Monoisotopic Mass:
230.188g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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