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Home > Other Building Blocks > 29420-78-8
29420-78-8 | 1-Pentanol, 2,2,4-trimethyl-, phosphate (3:1) (8CI,9CI)
CAS No: 29420-78-8 Catalog No: AG002YCM MDL No:
Product Description
Catalog Number:
AG002YCM
Chemical Name:
1-Pentanol, 2,2,4-trimethyl-, phosphate (3:1) (8CI,9CI)
CAS Number:
29420-78-8
IUPAC Name:
phosphoric acid;2,2,4-trimethylpentan-1-ol
InChI:
InChI=1S/3C8H18O.H3O4P/c3*1-7(2)5-8(3,4)6-9;1-5(2,3)4/h3*7,9H,5-6H2,1-4H3;(H3,1,2,3,4)
InChI Key:
FFACLXJZSXRXPC-UHFFFAOYSA-N
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.384g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
488.687g/mol
Monoisotopic Mass:
488.384g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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