1,2-Ethanebisphosphonic acid

CAT: 0127-OR10781-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR10781-01Size:100 mg

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CAS Number

6145-31-9

MDL Number

MFCD00013958

Purity

98%

Smiles

OP(=O)(O)CCP(=O)(O)O

Chemical Information

1,2-Ethylenediphosphonic Acid

CAS Number	6145-31-9
PubChem CID	80247
IUPAC Name	2-phosphonoethylphosphonic acid
Molecular Formula	C2H8O6P2
Molecular Weight	190.03
XLogP	-3.4
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	164

SMILES

C(CP(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C2H8O6P2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H2,3,4,5)(H2,6,7,8)

InChIKey

XYJLPCAKKYOLGU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6145-31-9

CID: 80247

Formula: C2H8O6P2

MW: 190.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.03
XLogP3	-3.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	189.97961197
Monoisotopic Mass	189.97961197
Topological Polar Surface Area	115 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	164
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
PC106399	1,1,2,2-Tetrafluoroethanesulfonic acid
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OR93508-01	1,2-Cyclopentanedicarboxylic acid
OR1068046-01	1,2-Phenylenediboronic acid
OR964730-01	1,2-Phenylenediacetic acid
OR1044640-01	[1,1'-Biphenyl]-2,2'-diyldiboronic acid
OR28585-01	[1,1'-Biphenyl]-2,2'-dicarboxylic acid
PC1008540-01	2,2-Difluorocyclopentane-1-carboxylic acid
OR1046577-01	2- (1-Hydroxycyclobutyl) -2-phenylacetic acid
OR1021121	2,2-Dimethylcyclopentane-1-carboxylic acid

Catalog	Name
sc-320285	1,1,2,2-Tetrafluoroethylthioacetic acid
JWC91958-01	1,2,2-Trifluorocyclohexanecarboxylic acid
T204077-01	1,2-Ethylenediphosphonic Acid
sc-222857	1,2-Phenylenediacetic acid
M31226-01	1,2-Benzenedicarboxylic acid
13506-83-7	1,2-Phenylenebisboronic Acid
410698-01	1,2-Dihydroperillic Acid
TRC-C992570-100MG	1,2-Cyclohexanedicarboxylic Acid
AR-C08628-01	1,2-Cyclohexylenedinitrilotetraacetic Acid
sc-334192	1,2-Cyclopropanedicarboxylic acid