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129454-99-5 | 2,4-Heptadienal, 2-methyl-6-oxo-, (2E,4E)-
CAS No: 129454-99-5 Catalog No: AG000Z5X MDL No:
Product Description
Catalog Number:
AG000Z5X
Chemical Name:
2,4-Heptadienal, 2-methyl-6-oxo-, (2E,4E)-
CAS Number:
129454-99-5
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
IUPAC Name:
2-methyl-6-oxohepta-2,4-dienal
InChI:
InChI=1S/C8H10O2/c1-7(6-9)4-3-5-8(2)10/h3-6H,1-2H3
InChI Key:
FDZCRHSDRBSPBW-UHFFFAOYSA-N
SMILES:
O=C/C(=C/C=C/C(=O)C)/C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.166g/mol
Monoisotopic Mass:
138.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
0.7
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