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140458-01-1 | 3,4-Hexadienal, 2,5-dimethyl-2-(1-propen-1-yl)-
CAS No: 140458-01-1 Catalog No: AG001CGQ MDL No:
Product Description
Catalog Number:
AG001CGQ
Chemical Name:
3,4-Hexadienal, 2,5-dimethyl-2-(1-propen-1-yl)-
CAS Number:
140458-01-1
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
2,5-dimethyl-2-prop-1-enylhexa-3,4-dienal
InChI:
InChI=1S/C11H16O/c1-5-7-11(4,9-12)8-6-10(2)3/h5,7-9H,1-4H3
InChI Key:
OXBHZHDASGSBCB-UHFFFAOYSA-N
SMILES:
CC=CC(C=C=C(C)C)(C=O)C
Properties
Complexity:
238
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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