mono-Methyl glutarate - CAS 1501-27-5
Catalog: |
BB010490 |
Product Name: |
mono-Methyl glutarate |
CAS: |
1501-27-5 |
Synonyms: |
5-methoxy-5-oxopentanoic acid |
IUPAC Name: | 5-methoxy-5-oxopentanoic acid |
Description: | mono-Methyl glutarate (CAS# 1501-27-5) is a building block used in various chemical synthesis. |
Molecular Weight: | 146.14 |
Molecular Formula: | C6H10O4 |
Canonical SMILES: | COC(=O)CCCC(=O)O |
InChI: | InChI=1S/C6H10O4/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H,7,8) |
InChI Key: | IBMRTYCHDPMBFN-UHFFFAOYSA-N |
Boiling Point: | 150-151 °C |
Melting Point: | 150 - 151 °C |
Density: | 1.169 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00004409 |
LogP: | 0.41430 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.05790880 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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