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127191-79-1 | 2-Nonenal, 9-(acetyloxy)-
CAS No: 127191-79-1 Catalog No: AG000WQX MDL No:
Product Description
Catalog Number:
AG000WQX
Chemical Name:
2-Nonenal, 9-(acetyloxy)-
CAS Number:
127191-79-1
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
IUPAC Name:
9-oxonon-7-enyl acetate
InChI:
InChI=1S/C11H18O3/c1-11(13)14-10-8-6-4-2-3-5-7-9-12/h5,7,9H,2-4,6,8,10H2,1H3
InChI Key:
BCKOXYRJSUXWQH-UHFFFAOYSA-N
SMILES:
O=CC=CCCCCCCOC(=O)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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