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65140-91-2 | Irganox 1425
CAS No: 65140-91-2 Catalog No: AG0039NP MDL No:
Product Description
Catalog Number:
AG0039NP
Chemical Name:
Irganox 1425
CAS Number:
65140-91-2
Molecular Formula:
C34H56CaO8P2
Molecular Weight:
694.8292
IUPAC Name:
calcium;(3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinate
InChI:
InChI=1S/2C17H29O4P.Ca/c2*1-8-21-22(19,20)11-12-9-13(16(2,3)4)15(18)14(10-12)17(5,6)7;/h2*9-10,18H,8,11H2,1-7H3,(H,19,20);/q;;+2/p-2
InChI Key:
SJEZDMHBMZPMME-UHFFFAOYSA-L
SMILES:
CCOP(=O)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)[O-].CCOP(=O)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)[O-].[Ca+2]
EC Number:
265-512-0
UNII:
9BO934602W
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
694.308g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
694.84g/mol
Monoisotopic Mass:
694.308g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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