DBCO-acid

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DBCO-acid

DBCO-acid | 1353016-70-2

Catelog Number R01-0285
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C19H15NO3
Molecular Weight 305.33
Catalog Number Size Price Quantity
R01-0285 -- $--

Chemical Information

Synonyms 11,12-Didehydro-gamma-oxodibenz[b,f]azocine-5(6H)-butanoic acid
Purity > 98.0 %
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)O
InChI InChI=1S/C19H15NO3/c21-18(11-12-19(22)23)20-13-16-7-2-1-5-14(16)9-10-15-6-3-4-8-17(15)20/h1-8H,11-13H2,(H,22,23)
InChI Key NDLOVDOICXITOK-UHFFFAOYSA-N
Solubility 10 mm in DMSO
Appearance Solid
Melting Point 179.0 to 183.0 ℃
LogP 2.86280

Product Specification

Storage Store at -20 ℃, keep in dry and avoid sunlight.
Application White to light yellow powder to crystal
Signal Warning
GHS Hazard Statements H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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 Codes P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.)

Computed Properties

XLogP3 2.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 305.10519334 g/mol
Monoisotopic Mass 305.10519334 g/mol
Topological Polar Surface Area 57.6Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 529
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

Patents

Publication NumberTitlePriority Date
WO-2022263944-A1 Azido-containing monomers, polymers, and articles 2021-06-16
WO-2022258794-A2 A conjugate 2021-06-09
CN-113234236-A Viscoelastic hydrogel and preparation method and application thereof 2021-05-08
CN-112957463-A Immune activation type antibody and application thereof 2021-02-22
CN-113663067-A Immune activation type antibody and application thereof 2021-02-22
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