3-Hydroxy-4-methylpentanoic acid - CAS 5980-21-2
Catalog: |
BB043489 |
Product Name: |
3-Hydroxy-4-methylpentanoic acid |
CAS: |
5980-21-2 |
Synonyms: |
Pentanoic acid, 3-hydroxy-4-methyl-; 3-Hydroxy-isocapronsaure |
IUPAC Name: | 3-hydroxy-4-methylpentanoic acid |
Description: | 3-Hydroxy-4-methylpentanoic acid (CAS# 5980-21-2 ) is a useful research chemical. |
Molecular Weight: | 132.16 |
Molecular Formula: | C6H12O3 |
Canonical SMILES: | CC(C)C(CC(=O)O)O |
InChI: | InChI=1S/C6H12O3/c1-4(2)5(7)3-6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) |
InChI Key: | BOAHYOWLXYZJSN-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 98.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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