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Hydroxy(2-naphthyl)methanephosphonic Acid

CAT: 0572-TRC-H948575-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H948575-10MGSize:10 mg
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CAS Number
132541-52-7
Synonyms
P-(Hydroxy-2-naphthalenylmethyl)phosphonic Acid; (Hydroxy-2-naphthalenylmethyl)phosphonic Acid; HNMPA;
Hazard Statement
No Data Available
Smiles
OC(c1ccc2ccccc2c1)P(=O)(O)O
Molecular Formula
C11H11O4P
Molecular Weight
238.18
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(Hydroxy-2-naphthalenylmethyl)phosphonic acid

a protein-tyrosine kinase inhibitor; structure given in first source

CAS Number132541-52-7
PubChem CID129317
IUPAC Name[hydroxy(naphthalen-2-yl)methyl]phosphonic acid
Molecular FormulaC11H11O4P
Molecular Weight238.18
XLogP0.6
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity288
SMILES
C1=CC=C2C=C(C=CC2=C1)C(O)P(=O)(O)O
InChI
InChI=1S/C11H11O4P/c12-11(16(13,14)15)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11-12H,(H2,13,14,15)
InChIKey
AMJJLDJPDLKNJA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Hydroxy-2-naphthalenylmethyl)phosphonic acid
CAS: 132541-52-7
CID: 129317
Formula: C11H11O4P
MW: 238.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.18
XLogP30.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass238.03949583
Monoisotopic Mass238.03949583
Topological Polar Surface Area77.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity288
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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