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139092-47-0 | 2-Nonenal, 5-hydroxy-, (E)- (9CI)
CAS No: 139092-47-0 Catalog No: AG001A93 MDL No:
Product Description
Catalog Number:
AG001A93
Chemical Name:
2-Nonenal, 5-hydroxy-, (E)- (9CI)
CAS Number:
139092-47-0
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
5-hydroxynon-2-enal
InChI:
InChI=1S/C9H16O2/c1-2-3-6-9(11)7-4-5-8-10/h4-5,8-9,11H,2-3,6-7H2,1H3
InChI Key:
HLRRIVDCMLHPAB-UHFFFAOYSA-N
SMILES:
CCCCC(C/C=C/C=O)O
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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