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26643-92-5 | Benzeneacetaldehyde, a-(2-methylbutylidene)-
CAS No: 26643-92-5 Catalog No: AG007KXO MDL No:
Product Description
Catalog Number:
AG007KXO
Chemical Name:
Benzeneacetaldehyde, a-(2-methylbutylidene)-
CAS Number:
26643-92-5
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
4-methyl-2-phenylhex-2-enal
InChI:
InChI=1S/C13H16O/c1-3-11(2)9-13(10-14)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3
InChI Key:
IOIWDGZFMUCYJR-UHFFFAOYSA-N
SMILES:
CCC(C=C(c1ccccc1)C=O)C
FEMA Number:
4194
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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