4-Allyloxycoumarin , CAS No.31005-07-9

CAS: 31005-07-9 Cat. No.: A169470 Summenformel: C12H10O3 Molekulargewicht: 202.21
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Synonyms
4-ALLYLOXYCOUMARIN|31005-07-9|4-prop-2-enoxychromen-2-one|2H-1-Benzopyran-2-one, 4-(2-propen-1-yloxy)-|ST060206|CHEMBL1957180|4-Allyloxy-cumarin|4-Allyloxycoumarin, AldrichCPR|SCHEMBL8515316|DTXSID10408639|LWRKLYVFSHDLMU-UHFFFAOYSA-N|BDBM50366104|AKOS0242
Storage
Room temperature
Shipped In
Normal
★
Size
Deutschland (EU)
USA*
Price
Qty
1g
A169470-1g
Auf Bestellung · 8–12 Wochen

531,84€

621,21€
Speichern 89,38 € (14.39%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyme
4-ALLYLOXYCOUMARIN | 31005-07-9 | 4-prop-2-enoxychromen-2-one | 2H-1-Benzopyran-2-one, 4-(2-propen-1-yloxy)- | ST060206 | CHEMBL1957180 | 4-Allyloxy-cumarin | 4-Allyloxycoumarin, AldrichCPR | SCHEMBL8515316 | DTXSID10408639 | LWRKLYVFSHDLMU-UHFFFAOYSA-N | BDBM50366104 | AKOS0242
Storage
Room temperature
Verschickt in
Normal
Namen und Kennungen
Kanonisches LächelnC=CCOC1=CC(=O)OC2=CC=CC=C21
IUPAC Name4-prop-2-enoxychromen-2-one
InChIKeyLWRKLYVFSHDLMU-UHFFFAOYSA-N
INCHI1S/C12H10O3/c1-2-7-14-11-8-12(13)15-10-6-4-3-5-9(10)11/h2-6,8H,1,7H2
Isomere SMILES C=CCOC1=CC(=O)OC2=CC=CC=C21
Molekulargewicht 202.21
Reaxy-Rn 162374
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=162374&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
KlasseCoumarins and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentCoumarins and derivatives
Alternative Parents 1-benzopyrans  Pyranones and derivatives  Alkyl aryl ethers  Benzenoids  Vinylogous esters  Heteroaromatic compounds  Lactones  Oxacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Coumarin - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous ester - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
CA12 Tclin Carbonic anhydrase 12 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA9 Tclin Carbonic anhydrase 9 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA12 Tclin Carbonic anhydrase XII (6231 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA9 Tclin Carbonic anhydrase IX (8255 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
Aspergillus flavus (8875 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Molekulargewicht202.210 g/mol
XLogP32.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass202.063 Da
Monoisotopic Mass202.063 Da
Topological Polar Surface Area35.500 Ų
Heavy Atom Count15
Formal Charge0
Complexity293.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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