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693-47-0 | Heptanal, 7-fluoro-
CAS No: 693-47-0 Catalog No: AG006FUP MDL No:
Product Description
Catalog Number:
AG006FUP
Chemical Name:
Heptanal, 7-fluoro-
CAS Number:
693-47-0
Molecular Formula:
C7H13FO
Molecular Weight:
132.1759
IUPAC Name:
7-fluoroheptanal
InChI:
InChI=1S/C7H13FO/c8-6-4-2-1-3-5-7-9/h7H,1-6H2
InChI Key:
ZKAOXODYSBGNRK-UHFFFAOYSA-N
SMILES:
FCCCCCCC=O
Properties
Complexity:
63.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.095g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.178g/mol
Monoisotopic Mass:
132.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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