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84629-00-5 | Pentanal, 5-methoxy-
CAS No: 84629-00-5 Catalog No: AG004TRK MDL No:
Product Description
Catalog Number:
AG004TRK
Chemical Name:
Pentanal, 5-methoxy-
CAS Number:
84629-00-5
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
IUPAC Name:
5-methoxypentanal
InChI:
InChI=1S/C6H12O2/c1-8-6-4-2-3-5-7/h5H,2-4,6H2,1H3
InChI Key:
KCCMPTAMMUQNSK-UHFFFAOYSA-N
SMILES:
COCCCCC=O
Properties
Complexity:
52.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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