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88255-14-5 | Benzeneacetaldehyde, 4-octyl-
CAS No: 88255-14-5 Catalog No: AG004AKU MDL No:
Product Description
Catalog Number:
AG004AKU
Chemical Name:
Benzeneacetaldehyde, 4-octyl-
CAS Number:
88255-14-5
Molecular Formula:
C16H24O
Molecular Weight:
232.3612
IUPAC Name:
2-(4-octylphenyl)acetaldehyde
InChI:
InChI=1S/C16H24O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)13-14-17/h9-12,14H,2-8,13H2,1H3
InChI Key:
CELVXMWBYKBFDM-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(cc1)CC=O
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.183g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.367g/mol
Monoisotopic Mass:
232.183g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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