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14024-17-0 | Iron, bis(2,4-pentanedionato-κO,κO')- (9CI)
CAS No: 14024-17-0 Catalog No: AG001C70 MDL No:MFCD00144506
Product Description
Catalog Number:
AG001C70
Chemical Name:
Iron, bis(2,4-pentanedionato-κO,κO')- (9CI)
CAS Number:
14024-17-0
Molecular Formula:
C10H16FeO4
Molecular Weight:
256.0766
MDL Number:
MFCD00144506
IUPAC Name:
(Z)-4-hydroxypent-3-en-2-one;iron
InChI:
InChI=1S/2C5H8O2.Fe/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/b2*4-3-;
InChI Key:
LFKXWKGYHQXRQA-FDGPNNRMSA-N
SMILES:
CC(=CC(=O)C)O.CC(=CC(=O)C)O.[Fe]
EC Number:
237-851-4
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
256.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.079g/mol
Monoisotopic Mass:
256.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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