3153-26-2

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(Z)-4-hydroxypent-3-en-2-one;oxovanadium

2.1.2 InChI

InChI=1S/2C5H8O2.O.V/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;;/b2*4-3-;;

2.1.3 InChI Key

FSJSYDFBTIVUFD-SUKNRPLKSA-N

2.1.4 Canonical SMILES

CC(=CC(=O)C)O.CC(=CC(=O)C)O.O=[V]

2.1.5 Isomeric SMILES

C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.O=[V]

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Obaav

2. Oxobis(acetylacetonato)vanadium Iv

2.2.2 Depositor-Supplied Synonyms

1. Vanadyl Acetylacetonate

2. 3153-26-2

3. Vanadium, Oxobis(2,4-pentanedionato-o,o')-, (sp-5-21)-

4. Vo(acac)2

5. C10h14o5v

6. Mfcd00000032

7. Vanadyl Acetylacetonate, 98%

8. Akos025311164

9. Vanadium(iv)-bis(acetylacetonato)oxide

10. F15414

11. Vanadyl Acetylacetonate, Purum, >=97.0% (rt)

12. Vanadyl Acetylacetonate, 99.98% Trace Metals Basis

2.3 Create Date

2006-10-28

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₆O₅V
Molecular Weight	267.17 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	91.7
Heavy Atom Count	16
Formal Charge	0
Complexity	253
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

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