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Home > Other Building Blocks > 76261-04-6
76261-04-6 | 6,12-Octadecadienal
CAS No: 76261-04-6 Catalog No: AG005EKL MDL No:
Product Description
Catalog Number:
AG005EKL
Chemical Name:
6,12-Octadecadienal
CAS Number:
76261-04-6
Molecular Formula:
C18H32O
Molecular Weight:
264.4461
IUPAC Name:
octadeca-6,12-dienal
InChI:
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,12-13,18H,2-5,8-11,14-17H2,1H3
InChI Key:
AAAPUEPXRKQNKE-UHFFFAOYSA-N
SMILES:
CCCCCC=CCCCCC=CCCCCC=O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.245g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.453g/mol
Monoisotopic Mass:
264.245g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6.3
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