3-Acetoxypropanoic Acid - CAS 4272-12-2
Catalog: |
BB075219 |
Product Name: |
3-Acetoxypropanoic Acid |
CAS: |
4272-12-2 |
Synonyms: |
3-(acetyloxy)propanoic acid; 3-acetoxypropanoic acid; 3-acetoxypropionic acid; 3-acetyloxypropanoic acid; 3-acetoxypropanoicacid; 3-acetoxy-propionic acid; beta-acetoxypropionic acid |
IUPAC Name: | 3-acetyloxypropanoic acid |
Molecular Weight: | 132.11 |
Molecular Formula: | C5H8O4 |
Canonical SMILES: | CC(=O)OCCC(=O)O |
InChI: | InChI=1S/C5H8O4/c1-4(6)9-3-2-5(7)8/h2-3H2,1H3,(H,7,8) |
InChI Key: | RFEXARYJXBYPLD-UHFFFAOYSA-N |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.04225873 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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