Specification
Synonyms
(Z)-4-Hydroxypent-3-en-2-one;manganese
IUPAC Name
(Z)-4-hydroxypent-3-en-2-one;manganese;
Canonical SMILES
CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.[Mn]
InChI
InChI=1S/3C5H8O2.Mn/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/b3*4-3-;
InChI Key
RDMHXWZYVFGYSF-LNTINUHCSA-N
Covalently-Bonded Unit Count
4
Defined Bond Stereocenter Count
3
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
3
Isomeric SMILES
C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.[Mn]
Monoisotopic Mass
355.095332
Topological Polar Surface Area
112 Ų