5-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)furan-2-carbaldehyde - CAS 1257648-74-0
Catalog: |
BB006256 |
Product Name: |
5-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)furan-2-carbaldehyde |
CAS: |
1257648-74-0 |
Synonyms: |
5-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)-2-furancarboxaldehyde; 5-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)furan-2-carbaldehyde |
IUPAC Name: | 5-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)furan-2-carbaldehyde |
Description: | 5-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)furan-2-carbaldehyde (CAS# 1257648-74-0 ) is a useful research chemical. |
Molecular Weight: | 251.00 |
Molecular Formula: | C10H10NO6B |
Canonical SMILES: | B1(OC(=O)CN(CC(=O)O1)C)C2=CC=C(O2)C=O |
InChI: | InChI=1S/C10H10BNO6/c1-12-4-9(14)17-11(18-10(15)5-12)8-3-2-7(6-13)16-8/h2-3,6H,4-5H2,1H3 |
InChI Key: | TXJROHJTTRUYBQ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P313, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019038362-A1 | ANTIBACTERIAL PYRROLOIMIDAZOLONES | 20170824 |
Complexity: | 342 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.0601172 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.0601172 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 86 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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