Minodronic Acid Impurity 26

CAT: 1299-RM-M041852-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M041852-01Size:10 mg

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CAS Number

35752-46-6

Synonyms

(2-ethoxy-2-oxoethyl) phosphonic acid

Molecular Formula

C4H9O5P

Molecular Weight

168.08

Target Alternative Name

Minodronic Acid

Product Name Synonym

(2-ethoxy-2-oxoethyl) phosphonic acid

Chemical Information

Ethyl phosphonoacetate

CAS Number	35752-46-6
PubChem CID	3614325
IUPAC Name	(2-ethoxy-2-oxoethyl)phosphonic acid
Molecular Formula	C4H9O5P
Molecular Weight	168.08
XLogP	-1.3
Topological Polar Surface Area	83.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	159

SMILES

CCOC(=O)CP(=O)(O)O

InChI

InChI=1S/C4H9O5P/c1-2-9-4(5)3-10(6,7)8/h2-3H2,1H3,(H2,6,7,8)

InChIKey

FSJPQPQXDUGPFV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35752-46-6

CID: 3614325

Formula: C4H9O5P

MW: 168.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.08
XLogP3	-1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	168.01876038
Monoisotopic Mass	168.01876038
Topological Polar Surface Area	83.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	159
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes