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71965-16-7 | 1-Tridecanol,titanium(4+) salt (4:1)
CAS No: 71965-16-7 Catalog No: AG005EDQ MDL No:
Product Description
Catalog Number:
AG005EDQ
Chemical Name:
1-Tridecanol,titanium(4+) salt (4:1)
CAS Number:
71965-16-7
Molecular Formula:
C52H108O4Ti
Molecular Weight:
845.2785
IUPAC Name:
titanium(4+);tridecan-1-olate
InChI:
InChI=1S/4C13H27O.Ti/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14;/h4*2-13H2,1H3;/q4*-1;+4
InChI Key:
AUZMDJOOVRHSOZ-UHFFFAOYSA-N
SMILES:
[O-]CCCCCCCCCCCCC.[O-]CCCCCCCCCCCCC.[O-]CCCCCCCCCCCCC.[O-]CCCCCCCCCCCCC.[Ti+4]
EC Number:
276-237-0
Properties
Complexity:
91.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
844.773g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
845.299g/mol
Monoisotopic Mass:
844.773g/mol
Rotatable Bond Count:
44
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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