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25171-03-3 | Phenol, 2,4-bis(1-phenylethyl)-, phosphite (3:1) (9CI)
CAS No: 25171-03-3 Catalog No: AG002QR2 MDL No:
Product Description
Catalog Number:
AG002QR2
Chemical Name:
Phenol, 2,4-bis(1-phenylethyl)-, phosphite (3:1) (9CI)
CAS Number:
25171-03-3
Molecular Formula:
C66H69O6P
Molecular Weight:
989.2242
IUPAC Name:
2,4-bis(1-phenylethyl)phenol;phosphorous acid
InChI:
InChI=1S/3C22H22O.H3O3P/c3*1-16(18-9-5-3-6-10-18)20-13-14-22(23)21(15-20)17(2)19-11-7-4-8-12-19;1-4(2)3/h3*3-17,23H,1-2H3;1-3H
InChI Key:
GFDLJGHWYRIREK-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(c1)C(c1ccccc1)C)O)c1ccccc1.CC(c1ccc(c(c1)C(c1ccccc1)C)O)c1ccccc1.CC(c1ccc(c(c1)C(c1ccccc1)C)O)c1ccccc1.OP(O)O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
988.483g/mol
Formal Charge:
0
Heavy Atom Count:
73
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
989.246g/mol
Monoisotopic Mass:
988.483g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
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