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86891-03-4 | Sodium 2,4-pentanedionate hydrate, 95%
CAS No: 86891-03-4 Catalog No: AG003UAO MDL No:MFCD00078034
Product Description
Catalog Number:
AG003UAO
Chemical Name:
Sodium 2,4-pentanedionate hydrate, 95%
CAS Number:
86891-03-4
MDL Number:
MFCD00078034
IUPAC Name:
sodium;(Z)-4-oxopent-2-en-2-olate;hydrate
InChI:
InChI=1S/C5H8O2.Na.H2O/c1-4(6)3-5(2)7;;/h3,6H,1-2H3;;1H2/q;+1;/p-1/b4-3-;;
InChI Key:
UKDRZWCRRJOZNR-GSBNXNDCSA-M
EC Number:
239-448-9
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
140.045g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.114g/mol
Monoisotopic Mass:
140.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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