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71965-00-9 | 1-Pentanol, 4-methyl-,titanium(4+) salt (4:1)
CAS No: 71965-00-9 Catalog No: AG005EDU MDL No:
Product Description
Catalog Number:
AG005EDU
Chemical Name:
1-Pentanol, 4-methyl-,titanium(4+) salt (4:1)
CAS Number:
71965-00-9
Molecular Formula:
C24H52O4Ti
Molecular Weight:
452.5343
IUPAC Name:
4-methylpentan-1-olate;titanium(4+)
InChI:
InChI=1S/4C6H13O.Ti/c4*1-6(2)4-3-5-7;/h4*6H,3-5H2,1-2H3;/q4*-1;+4
InChI Key:
FFZQNIBTALQJFJ-UHFFFAOYSA-N
SMILES:
[O-]CCCC(C)C.[O-]CCCC(C)C.[O-]CCCC(C)C.[O-]CCCC(C)C.[Ti+4]
EC Number:
276-219-2
Properties
Complexity:
33.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.335g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.543g/mol
Monoisotopic Mass:
452.335g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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