1-Cyclopropyl-1,3-butanedione - CAS 21573-10-4
Catalog: |
BB016972 |
Product Name: |
1-Cyclopropyl-1,3-butanedione |
CAS: |
21573-10-4 |
Synonyms: |
1-cyclopropylbutane-1,3-dione; 1-cyclopropylbutane-1,3-dione |
IUPAC Name: | 1-cyclopropylbutane-1,3-dione |
Description: | 1-Cyclopropyl-1,3-butanedione (CAS# 21573-10-4) is a reagent in regioselective synthesis of pyrazolylpyrazolopyrimidine derivatives in aqueous medium for antimicrobial agents. |
Molecular Weight: | 126.15 |
Molecular Formula: | C7H10O2 |
Canonical SMILES: | CC(=O)CC(=O)C1CC1 |
InChI: | InChI=1S/C7H10O2/c1-5(8)4-7(9)6-2-3-6/h6H,2-4H2,1H3 |
InChI Key: | KLCGMDWRXACELA-UHFFFAOYSA-N |
Boiling Point: | 198.5 °C at 760 mmHg |
Density: | 1.1 g/cm3 |
Appearance: | Colorless to light yellow clear liquid |
MDL: | MFCD00511094 |
LogP: | 0.94460 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P302+P352, P303+P361+P353, P321, P332+P313, P333+P313, P362, P363, P370+P378, P391, P403+P235, and P501 |
Signal Word: | Warning |
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Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.068079557 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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