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3095-96-3 | Propanoic acid, 3-(diethoxyphosphinyl)-
CAS No: 3095-96-3 Catalog No: AG0031QO MDL No:MFCD00466707
Product Description
Catalog Number:
AG0031QO
Chemical Name:
Propanoic acid, 3-(diethoxyphosphinyl)-
CAS Number:
3095-96-3
Molecular Formula:
C7H15O5P
Molecular Weight:
210.1648
MDL Number:
MFCD00466707
IUPAC Name:
3-diethoxyphosphorylpropanoic acid
InChI:
InChI=1S/C7H15O5P/c1-3-11-13(10,12-4-2)6-5-7(8)9/h3-6H2,1-2H3,(H,8,9)
InChI Key:
YLIOJOOKMJEHJM-UHFFFAOYSA-N
SMILES:
CCOP(=O)(OCC)CCC(=O)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.066g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.166g/mol
Monoisotopic Mass:
210.066g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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