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10175-95-8

10175-95-8 | Phosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monobutyl ester, zinc salt (2:1)

CAS No: 10175-95-8 Catalog No: AG0005EQ MDL No:

Product Description

Catalog Number:
AG0005EQ
Chemical Name:
Phosphonic acid, P-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, monobutyl ester, zinc salt (2:1)
CAS Number:
10175-95-8
Molecular Formula:
C38H64O8P2Zn
Molecular Weight:
776.2375
IUPAC Name:
zinc;butoxy-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphinate
InChI:
InChI=1S/2C19H33O4P.Zn/c2*1-8-9-10-23-24(21,22)13-14-11-15(18(2,3)4)17(20)16(12-14)19(5,6)7;/h2*11-12,20H,8-10,13H2,1-7H3,(H,21,22);/q;;+2/p-2
InChI Key:
JXBMLLSGNATXRM-UHFFFAOYSA-L
SMILES:
CCCCOP(=O)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)[O-].CCCCOP(=O)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)[O-].[Zn+2]
EC Number:
233-449-8

Properties

Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
774.337g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
776.25g/mol
Monoisotopic Mass:
774.337g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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