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114601-85-3 | 5,9,11-Heptadecatrienoic acid, 9-acetyl-8-formyl-
CAS No: 114601-85-3 Catalog No: AG000ESK MDL No:
Product Description
Catalog Number:
AG000ESK
Chemical Name:
5,9,11-Heptadecatrienoic acid, 9-acetyl-8-formyl-
CAS Number:
114601-85-3
Molecular Formula:
C20H30O4
Molecular Weight:
334.4498
IUPAC Name:
9-acetyl-8-formylheptadeca-5,9,11-trienoic acid
InChI:
InChI=1S/C20H30O4/c1-3-4-5-6-7-11-14-19(17(2)22)18(16-21)13-10-8-9-12-15-20(23)24/h7-8,10-11,14,16,18H,3-6,9,12-13,15H2,1-2H3,(H,23,24)
InChI Key:
QYSPNDLSROHLFH-UHFFFAOYSA-N
SMILES:
CCCCCC=CC=C(C(CC=CCCCC(=O)O)C=O)C(=O)C
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.214g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.456g/mol
Monoisotopic Mass:
334.214g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
3
XLogP3:
4
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