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14451-00-4 | 2-Butenedioic acid (2E)-, iron salt (1:?)
CAS No: 14451-00-4 Catalog No: AG001JO9 MDL No:
Product Description
Catalog Number:
AG001JO9
Chemical Name:
2-Butenedioic acid (2E)-, iron salt (1:?)
CAS Number:
14451-00-4
Molecular Formula:
C4H2FeO4
Molecular Weight:
169.9013
IUPAC Name:
(E)-but-2-enedioate;iron(3+)
InChI:
InChI=1S/3C4H4O4.2Fe/c3*5-3(6)1-2-4(7)8;;/h3*1-2H,(H,5,6)(H,7,8);;/q;;;2*+3/p-6/b3*2-1+;;
InChI Key:
IMWCPTKSESEZCL-SPSNFJOYSA-H
SMILES:
[O-]C(=O)/C=C/C(=O)[O-].[Fe+2]
EC Number:
238-433-4
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Exact Mass:
453.856g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.858g/mol
Monoisotopic Mass:
453.856g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
241A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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