Methyl 4-cyclopropyl-2,4-dioxobutanoate - CAS 167408-67-5
Catalog: |
BB046211 |
Product Name: |
Methyl 4-cyclopropyl-2,4-dioxobutanoate |
CAS: |
167408-67-5 |
Synonyms: |
4-Cyclopropyl-2,4-dioxo-butyric acid methyl ester |
IUPAC Name: | methyl 4-cyclopropyl-2,4-dioxobutanoate |
Description: | Methyl 4-cyclopropyl-2,4-dioxobutanoate (CAS# 167408-67-5 ) is a useful research chemical. |
Molecular Weight: | 170.16 |
Molecular Formula: | C8H10O4 |
Canonical SMILES: | COC(=O)C(=O)CC(=O)C1CC1 |
InChI: | InChI=1S/C8H10O4/c1-12-8(11)7(10)4-6(9)5-2-3-5/h5H,2-4H2,1H3 |
InChI Key: | MFRDTCKJOFHQDZ-UHFFFAOYSA-N |
Boiling Point: | 248.8±13.0 ℃ at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
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: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.0579088 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.0579088 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 60.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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