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129821-74-5 | Phosphonic acid, (1,1-dimethylethyl)-, mono(1-methylethyl) ester (9CI)
CAS No: 129821-74-5 Catalog No: AG000TPQ MDL No:
Product Description
Catalog Number:
AG000TPQ
Chemical Name:
Phosphonic acid, (1,1-dimethylethyl)-, mono(1-methylethyl) ester (9CI)
CAS Number:
129821-74-5
Molecular Formula:
C7H16O3P-
Molecular Weight:
179.1739
IUPAC Name:
tert-butyl(propan-2-yloxy)phosphinate
InChI:
InChI=1S/C7H17O3P/c1-6(2)10-11(8,9)7(3,4)5/h6H,1-5H3,(H,8,9)/p-1
InChI Key:
HWDPKRZPOBEQIG-UHFFFAOYSA-M
SMILES:
CC(OP(=O)(C(C)(C)C)[O-])C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.084g/mol
Formal Charge:
-1
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.176g/mol
Monoisotopic Mass:
179.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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