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138274-48-3 | 2,5,18-Tricosatrienal, 4-oxo-, (E,E,Z)- (9CI)
CAS No: 138274-48-3 Catalog No: AG0018FI MDL No:
Product Description
Catalog Number:
AG0018FI
Chemical Name:
2,5,18-Tricosatrienal, 4-oxo-, (E,E,Z)- (9CI)
CAS Number:
138274-48-3
Molecular Formula:
C23H38O2
Molecular Weight:
346.5466
IUPAC Name:
4-oxotricosa-2,5,18-trienal
InChI:
InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-19-22-24/h5-6,18-22H,2-4,7-17H2,1H3
InChI Key:
HMXIKGLJTMHOQU-UHFFFAOYSA-N
SMILES:
CCCC/C=C\CCCCCCCCCCC/C=C/C(=O)/C=C/C=O
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.287g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.555g/mol
Monoisotopic Mass:
346.287g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
8.1
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