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130985-39-6 | Butanoic acid, 4-[[bis(1,1-dimethylethoxy)phosphinyl]oxy]-
CAS No: 130985-39-6 Catalog No: AG000V7N MDL No:
Product Description
Catalog Number:
AG000V7N
Chemical Name:
Butanoic acid, 4-[[bis(1,1-dimethylethoxy)phosphinyl]oxy]-
CAS Number:
130985-39-6
Molecular Formula:
C12H25O6P
Molecular Weight:
296.2971
IUPAC Name:
4-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]butanoic acid
InChI:
InChI=1S/C12H25O6P/c1-11(2,3)17-19(15,18-12(4,5)6)16-9-7-8-10(13)14/h7-9H2,1-6H3,(H,13,14)
InChI Key:
LHQIICRAVXDCDL-UHFFFAOYSA-N
SMILES:
OC(=O)CCCOP(=O)(OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.139g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.3g/mol
Monoisotopic Mass:
296.139g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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