CAS 17501-79-0 Tetrakis(2,4-pentanedionato)titanium(IV) (ca. 63% in isopropyl alcohol)

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Tetrakis(2,4-pentanedionato)titanium(IV) (ca. 63% in isopropyl alcohol)

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Catalog Number

ACM17501790-1

CAS Number

17501-79-0

Product Name

Tetrakis(2,4-pentanedionato)titanium(IV) (ca. 63% in isopropyl alcohol)

Structure

Category

Salt

Synonyms

Acetylacetone titanium(IV) salt (ca. 63% in isopropyl alcohol)

IUPAC Name

(Z)-4-oxopent-2-en-2-olate;titanium(4+);

Molecular Weight

444.3

Molecular Formula

C20H28O8Ti

Canonical SMILES

CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Ti+4]

InChI

InChI=1S/4C5H8O2.Ti/c4*1-4(6)3-5(2)7;/h4*3,6H,1-2H3;/q;+4/p-4/b4*4-3-;

InChI Key

TYKCBTYOMAUNLH-MTOQALJVSA-J

Appearance

White to yellow to orange clear liquid

Complexity

90.4

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

EC Number

241-511-0

Exact Mass

444.1263585

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isomeric SMILES

C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Ti+4]

Monoisotopic Mass

444.1263585

Rotatable Bond Count

Topological Polar Surface Area

161 Å²

UNII

Q1276Q51Z1

MSDS

Download MSDS

COA

Download COA

Spec Sheet

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