Home Aldehydes Heptaldehyde

Heptaldehyde

CAS No.:
111-71-7
Catalog Number:
AG003QUW
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
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Purity
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Product Description
Catalog Number:
AG003QUW
Chemical Name:
Heptaldehyde
CAS Number:
111-71-7
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
MDL Number:
MFCD00007028
IUPAC Name:
heptanal
InChI:
InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
InChI Key:
FXHGMKSSBGDXIY-UHFFFAOYSA-N
SMILES:
CCCCCCC=O
EC Number:
203-898-4
UNII:
92N104S3HF
NSC Number:
2190
FEMA Number:
2540
UN Number:
3056
Properties
Complexity:
50.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.104g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.188g/mol
Monoisotopic Mass:
114.104g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
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Properties