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15848-62-1 | 4-Pentenal, 2-(1-methylethylidene)-
CAS No: 15848-62-1 Catalog No: AG001Q8B MDL No:
Product Description
Catalog Number:
AG001Q8B
Chemical Name:
4-Pentenal, 2-(1-methylethylidene)-
CAS Number:
15848-62-1
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
2-propan-2-ylidenepent-4-enal
InChI:
InChI=1S/C8H12O/c1-4-5-8(6-9)7(2)3/h4,6H,1,5H2,2-3H3
InChI Key:
YDZDMKKPECNBPE-UHFFFAOYSA-N
SMILES:
C=CCC(=C(C)C)C=O
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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