Fluoromalonaldehyde sodium salt - CAS 29548-72-9
Catalog: |
BB020236 |
Product Name: |
Fluoromalonaldehyde sodium salt |
CAS: |
29548-72-9 |
Synonyms: |
sodium;(Z)-2-fluoro-3-oxoprop-1-en-1-olate |
IUPAC Name: | sodium;(Z)-2-fluoro-3-oxoprop-1-en-1-olate |
Description: | Fluoromalonaldehyde sodium salt (CAS# 29548-72-9 ) is a useful research chemical. |
Molecular Weight: | 112.04 |
Molecular Formula: | C3H2FNaO2 |
Canonical SMILES: | C(=C(C=O)F)[O-].[Na+] |
InChI: | InChI=1S/C3H3FO2.Na/c4-3(1-5)2-6;/h1-2,5H;/q;+1/p-1/b3-1-; |
InChI Key: | FYHVZCYRLJSBIL-SPNQZIMRSA-M |
LogP: | 0.42670 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 81 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 111.99365175 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 111.99365175 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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