Butylphosphonic Acid

CAT: 0127-OR1030233-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1030233-01Size:250 mg

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CAS Number

3321-64-0

Synonyms

Butylphosphonic acid

Purity

98%

Smiles

CCCCP(=O)(O)O

Chemical Information

Butylphosphonic Acid

Butylphosphonic acid is a member of the class of phosphonic acids that is phosphonic acid having a butyl group attached to the phosphorous atom.

CAS Number	3321-64-0
PubChem CID	76839
IUPAC Name	butylphosphonic acid
Molecular Formula	C4H11O3P
Molecular Weight	138.10
XLogP	-0.3
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	95

SMILES

CCCCP(=O)(O)O

InChI

InChI=1S/C4H11O3P/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7)

InChIKey

UOKRBSXOBUKDGE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3321-64-0

CID: 76839

Formula: C4H11O3P

MW: 138.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.10
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	138.04458121
Monoisotopic Mass	138.04458121
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	95.5
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

Catalog	Name
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Catalog	Name
JH260256	Butylphosphonic acid
sc-251143	Tert-Butylphosphonic acid
sc-264768	1-Butylphosphonic acid
sc-237001	Tert-Butylphosphonic dichloride
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid
O8099-01	Oxalacetic Acid (Oxaloacetic acid)
MBS6036559-01	a-Lipoic Acid (Thioctic Acid)