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131204-47-2 | Nonanal, 6-oxo-
CAS No: 131204-47-2 Catalog No: AG000VQ5 MDL No:
Product Description
Catalog Number:
AG000VQ5
Chemical Name:
Nonanal, 6-oxo-
CAS Number:
131204-47-2
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
6-oxononanal
InChI:
InChI=1S/C9H16O2/c1-2-6-9(11)7-4-3-5-8-10/h8H,2-7H2,1H3
InChI Key:
PNTVUEPCEGCTTF-UHFFFAOYSA-N
SMILES:
CCCC(=O)CCCCC=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:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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