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27644-47-9 | Hexanal, 2-propyl-
CAS No: 27644-47-9 Catalog No: AG002UAY MDL No:
Product Description
Catalog Number:
AG002UAY
Chemical Name:
Hexanal, 2-propyl-
CAS Number:
27644-47-9
Molecular Formula:
C9H18O
Molecular Weight:
142.2386
IUPAC Name:
2-propylhexanal
InChI:
InChI=1S/C9H18O/c1-3-5-7-9(8-10)6-4-2/h8-9H,3-7H2,1-2H3
InChI Key:
IREORVYCKDQFMD-UHFFFAOYSA-N
SMILES:
CCCCC(CCC)C=O
Properties
Complexity:
78.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.136g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.242g/mol
Monoisotopic Mass:
142.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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