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ND(TMHD)3

CAS No.:
15492-47-4
Catalog Number:
AG003SXS
Molecular Formula:
C33H57Nd2O6+++
Molecular Weight:
838.2821
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Product Description
Catalog Number:
AG003SXS
Chemical Name:
ND(TMHD)3
CAS Number:
15492-47-4
Molecular Formula:
C33H57Nd2O6+++
Molecular Weight:
838.2821
MDL Number:
MFCD00015708
IUPAC Name:
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;neodymium
InChI:
InChI=1S/3C11H20O2.Nd/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/b3*8-7-;
InChI Key:
WCCMEVRVLBRPNG-LWTKGLMZSA-N
SMILES:
[O-]/C(=C\C(=O)C(C)(C)C)/C(C)(C)C.[O-]/C(=C\C(=O)C(C)(C)C)/C(C)(C)C.[O-]/C(=C\C(=O)C(C)(C)C)/C(C)(C)C.[Nd+3].[Nd+3]
Properties
Complexity:
801  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3  
Exact Mass:
694.347g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
697.079g/mol
Monoisotopic Mass:
694.347g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties