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89682-64-4 | 2,4-Heptadecadiene-8,11-diynal, 6-oxo-, (E,Z)-
CAS No: 89682-64-4 Catalog No: AG0043H2 MDL No:
Product Description
Catalog Number:
AG0043H2
Chemical Name:
2,4-Heptadecadiene-8,11-diynal, 6-oxo-, (E,Z)-
CAS Number:
89682-64-4
Molecular Formula:
C17H20O2
Molecular Weight:
256.3395
IUPAC Name:
6-oxoheptadeca-2,4-dien-8,11-diynal
InChI:
InChI=1S/C17H20O2/c1-2-3-4-5-6-7-8-9-11-14-17(19)15-12-10-13-16-18/h10,12-13,15-16H,2-5,8,14H2,1H3
InChI Key:
YUEOPGSURWCSBE-UHFFFAOYSA-N
SMILES:
CCCCCC#CCC#CCC(=O)/C=C\C=C\C=O
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.146g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.345g/mol
Monoisotopic Mass:
256.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.8
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