3-hydroxypentanoic acid - CAS 10237-77-1
Catalog: |
BB043337 |
Product Name: |
3-hydroxypentanoic acid |
CAS: |
10237-77-1 |
Synonyms: |
3-Hydroxyvaleric acid; beta-hydroxyvaleric acid |
IUPAC Name: | 3-hydroxypentanoic acid |
Description: | 3-hydroxypentanoic acid is a useful research chemical. |
Molecular Weight: | 118.13 |
Molecular Formula: | C5H10O3 |
Canonical SMILES: | CCC(CC(=O)O)O |
InChI: | InChI=1S/C5H10O3/c1-2-4(6)3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8) |
InChI Key: | REKYPYSUBKSCAT-UHFFFAOYSA-N |
Boiling Point: | 253.3 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.14 g/cm3 |
Appearance: | Solid or liquid |
LogP: | -0.610 (est) |
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: | 79.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 118.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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