3-[(4-Methylphenyl)sulfonyl]propanoic acid - CAS 10154-76-4
Catalog: |
BB050536 |
Product Name: |
3-[(4-Methylphenyl)sulfonyl]propanoic acid |
CAS: |
10154-76-4 |
Synonyms: |
3-(Toluene-4-sulfonyl)-propionic acid; 3-tosylpropanoic acid; 3-(4-methylbenzenesulfonyl)propanoic acid |
IUPAC Name: | 3-(4-methylphenyl)sulfonylpropanoic acid |
Description: | 3-[(4-Methylphenyl)sulfonyl]propanoic acid (CAS# 10154-76-4 ) is a useful research chemical. |
Molecular Weight: | 228.27 |
Molecular Formula: | C10H12O4S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)O |
InChI: | InChI=1S/C10H12O4S/c1-8-2-4-9(5-3-8)15(13,14)7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12) |
InChI Key: | HXZLEMZJRUFEKH-UHFFFAOYSA-N |
Boiling Point: | 459.8±45.0 °C (Predicted) |
Melting Point: | 110-113 °C |
Purity: | 96 % |
Density: | 1.303±0.06 g/cm3(Predicted) |
Appearance: | Solid |
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: | 307 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.04563003 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.04563003 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 79.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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