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124-13-0

124-13-0 | n-Octanaldehyde

CAS No: 124-13-0 Catalog No: AG000LDL MDL No:MFCD00007029

Product Description

Catalog Number:
AG000LDL
Chemical Name:
n-Octanaldehyde
CAS Number:
124-13-0
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
MDL Number:
MFCD00007029
IUPAC Name:
octanal
InChI:
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
InChI Key:
NUJGJRNETVAIRJ-UHFFFAOYSA-N
SMILES:
CCCCCCCC=O
EC Number:
204-683-8
UNII:
XGE9999H19
UN Number:
1191

Properties

Complexity:
59.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.12g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.215g/mol
Monoisotopic Mass:
128.12g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Literature

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