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89197-84-2 | Butanoic acid, 4-[[butoxy(3-hydroxybutoxy)phosphinyl]oxy]-
CAS No: 89197-84-2 Catalog No: AG003VMD MDL No:
Product Description
Catalog Number:
AG003VMD
Chemical Name:
Butanoic acid, 4-[[butoxy(3-hydroxybutoxy)phosphinyl]oxy]-
CAS Number:
89197-84-2
Molecular Formula:
C12H25O7P
Molecular Weight:
312.2965
IUPAC Name:
4-[butoxy(3-hydroxybutoxy)phosphoryl]oxybutanoic acid
InChI:
InChI=1S/C12H25O7P/c1-3-4-8-17-20(16,19-10-7-11(2)13)18-9-5-6-12(14)15/h11,13H,3-10H2,1-2H3,(H,14,15)
InChI Key:
LEHOZALWTJZHLC-UHFFFAOYSA-N
SMILES:
CCCCOP(=O)(OCCC(O)C)OCCCC(=O)O
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.134g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.299g/mol
Monoisotopic Mass:
312.134g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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