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89784-68-9 | Phosphorous acid, 1,1-dimethyl-2-propynyl diphenyl ester
CAS No: 89784-68-9 Catalog No: AG00405K MDL No:
Product Description
Catalog Number:
AG00405K
Chemical Name:
Phosphorous acid, 1,1-dimethyl-2-propynyl diphenyl ester
CAS Number:
89784-68-9
Molecular Formula:
C17H17O3P
Molecular Weight:
300.2888
IUPAC Name:
2-methylbut-3-yn-2-yl diphenyl phosphite
InChI:
InChI=1S/C17H17O3P/c1-4-17(2,3)20-21(18-15-11-7-5-8-12-15)19-16-13-9-6-10-14-16/h1,5-14H,2-3H3
InChI Key:
IKJVCIJMVCDWLM-UHFFFAOYSA-N
SMILES:
C#CC(OP(Oc1ccccc1)Oc1ccccc1)(C)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.092g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.294g/mol
Monoisotopic Mass:
300.092g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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