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115422-60-1 | 3,6-Dodecadienal
CAS No: 115422-60-1 Catalog No: AG000FYW MDL No:
Product Description
Catalog Number:
AG000FYW
Chemical Name:
3,6-Dodecadienal
CAS Number:
115422-60-1
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
dodeca-3,6-dienal
InChI:
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,9-10,12H,2-5,8,11H2,1H3
InChI Key:
KPYAJCQYTVRFPU-UHFFFAOYSA-N
SMILES:
CCCCCC=CCC=CCC=O
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.7
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