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94135-57-6 | 3-(p-Cumenyl)-2-octylpropionaldehyde
CAS No: 94135-57-6 Catalog No: AG0066RT MDL No:
Product Description
Catalog Number:
AG0066RT
Chemical Name:
3-(p-Cumenyl)-2-octylpropionaldehyde
CAS Number:
94135-57-6
Molecular Formula:
C20H32O
Molecular Weight:
288.4675
IUPAC Name:
2-[(4-propan-2-ylphenyl)methyl]decanal
InChI:
InChI=1S/C20H32O/c1-4-5-6-7-8-9-10-19(16-21)15-18-11-13-20(14-12-18)17(2)3/h11-14,16-17,19H,4-10,15H2,1-3H3
InChI Key:
OITFAOHCTDPSPO-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(Cc1ccc(cc1)C(C)C)C=O
EC Number:
302-926-3
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.245g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.475g/mol
Monoisotopic Mass:
288.245g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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