1-Naphthylmethylphosphonic acid - CAS 4730-77-2
Catalog: |
BB043734 |
Product Name: |
1-Naphthylmethylphosphonic acid |
CAS: |
4730-77-2 |
Synonyms: |
(1-naphthylmethyl)-phosphonicaci; 1-NAPHTHYLMETHYLPHOSPHONIC ACID; 1-NAPHTHYLMETHYLPHOSPHONIC ACID 98+%; naphthalen-1-ylmethylphosphonic acid |
IUPAC Name: | naphthalen-1-ylmethylphosphonic acid |
Description: | 1-Naphthylmethylphosphonic acid (CAS# 4730-77-2 ) is a useful research chemical. |
Molecular Weight: | 222.18 |
Molecular Formula: | C11H11O3P |
Canonical SMILES: | C1=CC=C2C(=C1)C=CC=C2CP(=O)(O)O |
InChI: | InChI=1S/C11H11O3P/c12-15(13,14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,12,13,14) |
InChI Key: | LYGCMUNBGIOQAB-UHFFFAOYSA-N |
Purity: | 98 % (1H+31P NMR) |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.04458121 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.04458121 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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