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20519-79-3

20519-79-3 | Phosphonic acid, P-(1-hydroxy-1-methyl-2-oxopropyl)-, diethyl ester

CAS No: 20519-79-3 Catalog No: AG0029XP MDL No:

Product Description

Catalog Number:
AG0029XP
Chemical Name:
Phosphonic acid, P-(1-hydroxy-1-methyl-2-oxopropyl)-, diethyl ester
CAS Number:
20519-79-3
Molecular Formula:
C8H17O5P
Molecular Weight:
224.1913
IUPAC Name:
3-diethoxyphosphoryl-3-hydroxybutan-2-one
InChI:
InChI=1S/C8H17O5P/c1-5-12-14(11,13-6-2)8(4,10)7(3)9/h10H,5-6H2,1-4H3
InChI Key:
ZNRSBKBPSLQYGG-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(C(=O)C)(O)C)OCC

Properties

Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.081g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.193g/mol
Monoisotopic Mass:
224.081g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  

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