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206752-34-3 | 2,4-Pentanedione, ion(1-), barium, hydrate (2:1:?)
CAS No: 206752-34-3 Catalog No: AG00308Q MDL No:MFCD00150161
Product Description
Catalog Number:
AG00308Q
Chemical Name:
2,4-Pentanedione, ion(1-), barium, hydrate (2:1:?)
CAS Number:
206752-34-3
MDL Number:
MFCD00150161
IUPAC Name:
barium(2+);(Z)-4-oxopent-2-en-2-olate;hydrate
InChI:
InChI=1S/2C5H8O2.Ba.H2O/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;;1H2/q;;+2;/p-2/b2*4-3-;;
InChI Key:
HYRVTHFPMWHAEG-SUKNRPLKSA-L
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
354.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.56g/mol
Monoisotopic Mass:
354.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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