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Herbarin - ≥98% , CAS No.36379-67-6

Herbarin - ≥98% , CAS No.36379-67-6

Name: Herbarin - ≥98% , CAS No.36379-67-6
SKU: H1300902
Availability: InStock

CAS: 36379-67-6 Cat. No.: H1300902 PubChem CID: 3084629

COA

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Disponibile su ordine

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications Nomi e identificatori Documentazione Advanced Data Taxonomic Classification Struttura 3D Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Calcolatori di soluzioni Recensioni

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici	CC1(CC2=C(CO1)C(=O)C3=C(C2=O)C=C(C=C3OC)OC)O
IUPAC Name	3-hydroxy-7,9-dimethoxy-3-methyl-1,4-dihydrobenzo[g]isochromene-5,10-dione
InChIKey	MQWLANHTCHDMAR-UHFFFAOYSA-N
INCHI	1S/C16H16O6/c1-16(19)6-10-11(7-22-16)15(18)13-9(14(10)17)4-8(20-2)5-12(13)21-3/h4-5,19H,6-7H2,1-3H3
Isomeri SMILES	CC1(CC2=C(CO1)C(=O)C3=C(C2=O)C=C(C=C3OC)OC)O
CAS alternativo	36379-67-6
PubChem CID	3084629
Termini MeSH	dehydroherbarin;herbarin

Documentazione

📋 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

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Classe Isochromanequinones
    - Subclass Benzoisochromanequinones

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Classe	Isochromanequinones
Subclass	Benzoisochromanequinones
Intermediate Tree Nodes	Not available
Direct Parent	Benzoisochromanequinones
Alternative Parents	Naphthopyranones Naphthoquinones Quinones Aryl ketones Anisoles Pyranones and derivatives Alkyl aryl ethers Hemiacetals Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoisochromanequinone - Naphthopyranone - Naphthopyran - Naphthoquinone - Naphthalene - Anisole - Aryl ketone - Quinone - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Hemiacetal - Ketone - Oxacycle - Ether - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Descrizione	This compound belongs to the class of organic compounds known as benzoisochromanequinones. These are benzo derivatives of isochromanequinones. Isochromanequinones are structurally characterized by a quinone fused to an isochromane, and forming a naphtho[2,3-c]pyran-6,9-dione skeleton.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Struttura 3D

Certificati (CoA, COO, BSE/TSE e tabella di analisi)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Proprietà chimiche e fisiche

Peso molecolare	304.290 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	304.095 Da
Monoisotopic Mass	304.095 Da
Topological Polar Surface Area	82.100 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	539.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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