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128894-13-3 | Phosphonic acid, [(1-hydroxycyclopentyl)phenylmethyl]-, diethyl ester (9CI)
CAS No: 128894-13-3 Catalog No: AG000YGB MDL No:
Product Description
Catalog Number:
AG000YGB
Chemical Name:
Phosphonic acid, [(1-hydroxycyclopentyl)phenylmethyl]-, diethyl ester (9CI)
CAS Number:
128894-13-3
Molecular Formula:
C16H25O4P
Molecular Weight:
312.3411
IUPAC Name:
1-[diethoxyphosphoryl(phenyl)methyl]cyclopentan-1-ol
InChI:
InChI=1S/C16H25O4P/c1-3-19-21(18,20-4-2)15(14-10-6-5-7-11-14)16(17)12-8-9-13-16/h5-7,10-11,15,17H,3-4,8-9,12-13H2,1-2H3
InChI Key:
IKPRPQWENAUAQR-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(C1(O)CCCC1)c1ccccc1)OCC
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.149g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.346g/mol
Monoisotopic Mass:
312.149g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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