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122106-34-7 | 2,5,14-Tricosatrien-4-one, 1-hydroxy-, (E,E,Z)- (9CI)
CAS No: 122106-34-7 Catalog No: AG0016R0 MDL No:
Product Description
Catalog Number:
AG0016R0
Chemical Name:
2,5,14-Tricosatrien-4-one, 1-hydroxy-, (E,E,Z)- (9CI)
CAS Number:
122106-34-7
Molecular Formula:
C23H40O2
Molecular Weight:
348.5625
IUPAC Name:
1-hydroxytricosa-2,5,14-trien-4-one
InChI:
InChI=1S/C23H40O2/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/h9-10,18-21,24H,2-8,11-17,22H2,1H3
InChI Key:
SMKINGBNWANFFF-UHFFFAOYSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCC/C=C/C(=O)/C=C/CO
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.303g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.571g/mol
Monoisotopic Mass:
348.303g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
8
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