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89784-69-0 | Phosphorous acid, bis(1,1-dimethyl-2-propynyl) phenyl ester
CAS No: 89784-69-0 Catalog No: AG00405J MDL No:
Product Description
Catalog Number:
AG00405J
Chemical Name:
Phosphorous acid, bis(1,1-dimethyl-2-propynyl) phenyl ester
CAS Number:
89784-69-0
Molecular Formula:
C16H19O3P
Molecular Weight:
290.2940
IUPAC Name:
bis(2-methylbut-3-yn-2-yl) phenyl phosphite
InChI:
InChI=1S/C16H19O3P/c1-7-15(3,4)18-20(19-16(5,6)8-2)17-14-12-10-9-11-13-14/h1-2,9-13H,3-6H3
InChI Key:
NFZSMHUVIRDGKZ-UHFFFAOYSA-N
SMILES:
C#CC(OP(Oc1ccccc1)OC(C#C)(C)C)(C)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.107g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.299g/mol
Monoisotopic Mass:
290.107g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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