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26238-82-4 | Heptanal, 3-(1-methylethyl)-6-oxo-
CAS No: 26238-82-4 Catalog No: AG002SEW MDL No:
Product Description
Catalog Number:
AG002SEW
Chemical Name:
Heptanal, 3-(1-methylethyl)-6-oxo-
CAS Number:
26238-82-4
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
6-oxo-3-propan-2-ylheptanal
InChI:
InChI=1S/C10H18O2/c1-8(2)10(6-7-11)5-4-9(3)12/h7-8,10H,4-6H2,1-3H3
InChI Key:
FPRPHSFWFCJDLK-UHFFFAOYSA-N
SMILES:
O=CCC(C(C)C)CCC(=O)C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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