2-Phenethyl-phosphonic acid

CAT: 0024-sc-357564Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-357564Size:10 mg

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CAS Number

4672-30-4

Chemical Information

Phenylethanephosphonic acid

CAS Number	4672-30-4
PubChem CID	78404
IUPAC Name	2-phenylethylphosphonic acid
Molecular Formula	C8H11O3P
Molecular Weight	186.14
XLogP	0.4
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	169

SMILES

C1=CC=C(C=C1)CCP(=O)(O)O

InChI

InChI=1S/C8H11O3P/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,9,10,11)

InChIKey

BFDYSJCMAFSRDH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4672-30-4

CID: 78404

Formula: C8H11O3P

MW: 186.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.14
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	186.04458121
Monoisotopic Mass	186.04458121
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169
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
sc-265817	(2-Methylbenzyl) phosphonic acid
sc-335297	2-Phenethyl-nicotinic acid
sc-213682	2- (Chloroethyl) Phosphonic Acid-d4
sc-239227	(Aminomethyl) phosphonic acid
sc-496499	PEG2-bis (phosphonic acid)
sc-496500	PEG3-bis (phosphonic acid)
sc-486921	(3-Bromopropyl) phosphonic Acid
sc-205200A	α-hydroxy Farnesyl Phosphonic Acid
sc-496201	Bromo-PEG5-phosphonic acid
sc-489138	(1-Methylheptyl) phosphonic Acid

Catalog	Name
CS-T-11587	(2-Chloroethyl) Phosphonic Acid
HY-W006371-01	(2-Aminoethyl) phosphonic acid
OR1100035	(2-Oxopropyl) phosphonic acid
C6653-100	(2-Aminoethyl)phosphonic acid
419081-01	(2-Phenylethyl) phosphonic Acid
RG-P022573-01	(2-Oxoethyl) Phosphonic Acid
OR10785-01	(2-Methylbenzyl) phosphonic acid
27707-72	Phosphonic Acid
OR86563-01	(2-Hydroxyethyl) phosphonic acid
HY-W004494-01	2-Aminoindan-2-phosphonic acid