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20432-43-3 | 2,4-Pentadienal, 4-methyl-, (E)-
CAS No: 20432-43-3 Catalog No: AG0029FK MDL No:
Product Description
Catalog Number:
AG0029FK
Chemical Name:
2,4-Pentadienal, 4-methyl-, (E)-
CAS Number:
20432-43-3
Molecular Formula:
C6H8O
Molecular Weight:
96.1271
IUPAC Name:
(2E)-4-methylpenta-2,4-dienal
InChI:
InChI=1S/C6H8O/c1-6(2)4-3-5-7/h3-5H,1H2,2H3/b4-3+
InChI Key:
CPHXZIBGZOPWBM-ONEGZZNKSA-N
SMILES:
O=C/C=C/C(=C)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
96.058g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.129g/mol
Monoisotopic Mass:
96.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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