4-Oxoheptanedioic acid - CAS 502-50-1
Catalog: |
BB026975 |
Product Name: |
4-Oxoheptanedioic acid |
CAS: |
502-50-1 |
Synonyms: |
4-oxoheptanedioic acid |
IUPAC Name: | 4-oxoheptanedioic acid |
Description: | 4-Oxoheptanedioic acid (CAS# 502-50-1) is a useful research chemical. |
Molecular Weight: | 174.15 |
Molecular Formula: | C7H10O5 |
Canonical SMILES: | C(CC(=O)O)C(=O)CCC(=O)O |
InChI: | InChI=1S/C7H10O5/c8-5(1-3-6(9)10)2-4-7(11)12/h1-4H2,(H,9,10)(H,11,12) |
InChI Key: | UDDSEESQRGPVIL-UHFFFAOYSA-N |
Boiling Point: | 420.4 °C at 760 mmHg |
Density: | 1.334 g/cm3 |
Appearance: | White solid |
MDL: | MFCD00002798 |
LogP: | 0.28510 |
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 |
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PMID | Publication Date | Title | Journal |
12790573 | 20030613 | Enantioselective synthesis of the C1-C11 fragment of bafilomycin A1 using non-Wittig and desymmetrization strategies | The Journal of organic chemistry |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.05282342 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.05282342 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 91.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.2 |
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