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138568-50-0 | Phosphinic acid, [2-(4,4-dimethyl-3-oxopentyl)-1-hydroxycyclopentyl]- (9CI)
CAS No: 138568-50-0 Catalog No: AG0018R1 MDL No:
Product Description
Catalog Number:
AG0018R1
Chemical Name:
Phosphinic acid, [2-(4,4-dimethyl-3-oxopentyl)-1-hydroxycyclopentyl]- (9CI)
CAS Number:
138568-50-0
Molecular Formula:
C12H23O4P
Molecular Weight:
262.2824
IUPAC Name:
[2-(4,4-dimethyl-3-oxopentyl)-1-hydroxycyclopentyl]-hydroxy-oxophosphanium
InChI:
InChI=1S/C12H21O4P/c1-11(2,3)10(13)7-6-9-5-4-8-12(9,14)17(15)16/h9,14H,4-8H2,1-3H3/p+1
InChI Key:
HDNTZJSZCJYRMX-UHFFFAOYSA-O
SMILES:
O=C(C(C)(C)C)CCC1CCCC1(O)P(=O)O
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.126g/mol
Formal Charge:
1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.278g/mol
Monoisotopic Mass:
261.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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