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89784-73-6 | 1-Nonyn-3-ol, 3-methyl-, phosphite (3:1)
CAS No: 89784-73-6 Catalog No: AG003ZWD MDL No:
Product Description
Catalog Number:
AG003ZWD
Chemical Name:
1-Nonyn-3-ol, 3-methyl-, phosphite (3:1)
CAS Number:
89784-73-6
Molecular Formula:
C30H57O6P
Molecular Weight:
544.7437
IUPAC Name:
3-methylnon-1-yn-3-ol;phosphorous acid
InChI:
InChI=1S/3C10H18O.H3O3P/c3*1-4-6-7-8-9-10(3,11)5-2;1-4(2)3/h3*2,11H,4,6-9H2,1,3H3;1-3H
InChI Key:
JIUZMZVFYWQEQV-UHFFFAOYSA-N
SMILES:
OP(O)O.CCCCCCC(C#C)(O)C.CCCCCCC(C#C)(O)C.CCCCCCC(C#C)(O)C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
544.389g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
544.754g/mol
Monoisotopic Mass:
544.389g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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