1-ethoxy-3-ethyl-1-oxopentan-2-ylphosphonic acid

1-ethoxy-3-ethyl-1-oxopentan-2-ylphosphonic acid

CAS: 3699-66-9

Formula: C9H19O5P

SMILES: CCOC(=O)C(C(CC)CC)P(O)(O)=O

IUPAC: (1-ethoxy-3-ethyl-1-oxopentan-2-yl)phosphonic acid

InChI: InChI=1/C9H19O5P/c1-4-7(5-2)8(15(11,12)13)9(10)14-6-3/h7-8H,4-6H2,1-3H3,(H2,11,12,13)

Composition: C (45.38%), H (8.04%), O (33.58%), P (13.00%)

Molar Mass: 238.22

Atom Count: 34

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	238.09701071
Formal Charge	0
FSP3	0.89
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	QAWKAGWUTSZOPA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.84
Topological Polar Surface Area	83.83
Polarizability	22.39
Ring Count	0
Rotatable Bond Count	7

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