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88648-22-0 | Phosphinic acid, (1-hydroxyethyl)-, (4-propoxyphenyl)methyl ester
CAS No: 88648-22-0 Catalog No: AG0048X2 MDL No:
Product Description
Catalog Number:
AG0048X2
Chemical Name:
Phosphinic acid, (1-hydroxyethyl)-, (4-propoxyphenyl)methyl ester
CAS Number:
88648-22-0
Molecular Formula:
C12H19O4P
Molecular Weight:
258.2506
IUPAC Name:
1-hydroxyethyl-oxo-[(4-propoxyphenyl)methoxy]phosphanium
InChI:
InChI=1S/C12H18O4P/c1-3-8-15-12-6-4-11(5-7-12)9-16-17(14)10(2)13/h4-7,10,13H,3,8-9H2,1-2H3/q+1
InChI Key:
ZXYVOWGHKLJSNI-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)COP(=O)C(O)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.094g/mol
Formal Charge:
1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.246g/mol
Monoisotopic Mass:
257.094g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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