(3-Pyridinylmethyl)phosphonic acid - CAS 74095-34-4
Catalog: |
BB043831 |
Product Name: |
(3-Pyridinylmethyl)phosphonic acid |
CAS: |
74095-34-4 |
Synonyms: |
CHEMBL1651841; (Pyridin-3-ylmethyl)phosphonic Acid; Phosphonic acid, P-(3-pyridinylmethyl)-; SCHEMBL9546859 |
IUPAC Name: | pyridin-3-ylmethylphosphonic acid |
Description: | (3-Pyridinylmethyl)phosphonic acid (CAS# 74095-34-4 ) is a useful research chemical. |
Molecular Weight: | 173.11 |
Molecular Formula: | C6H8NO3P |
Canonical SMILES: | C1=CC(=CN=C1)CP(=O)(O)O |
InChI: | InChI=1S/C6H8NO3P/c8-11(9,10)5-6-2-1-3-7-4-6/h1-4H,5H2,(H2,8,9,10) |
InChI Key: | QDDHHQXANXQQAY-UHFFFAOYSA-N |
Purity: | 98 % |
Storage: | Room temperature. |
MDL: | MFCD16877727 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 |
Signal Word: | Warning |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.02418011 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.02418011 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.2 |
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