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112-54-9 | Dodecyl aldehyde
CAS No: 112-54-9 Catalog No: AG003PVN MDL No:MFCD00007017
Product Description
Catalog Number:
AG003PVN
Chemical Name:
Dodecyl aldehyde
CAS Number:
112-54-9
Molecular Formula:
C12H24O
Molecular Weight:
184.3184
MDL Number:
MFCD00007017
IUPAC Name:
dodecanal
InChI:
InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3
InChI Key:
HFJRKMMYBMWEAD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC=O
EC Number:
203-983-6
UNII:
C42O120SEF
FEMA Number:
2615
Properties
Complexity:
99.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.183g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.323g/mol
Monoisotopic Mass:
184.183g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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