2-Methoxyresorcinol - ≥98% , CAS No.29267-67-2

CAS: 29267-67-2 Cat. No.: M330655 Formule: C₇H₈O₃ Poids moléculaire: 140.14

GRADE & PURITY ≥98%

Synonyms

2-Methoxy-1,3-benzenediol # | 2-O-methylpyrogallol | KBio3_002299 | 2-Methoxyresorcinol | Spectrum4_001560 | DTXSID60183520 | 1,3-Benzenediol, 2-methoxy- | KBio2_000878 | RESORCINOL, 2-METHOXY- | EINECS 249-542-1 | Spectrum5_000160 | SR-05000002376-1 | NC

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

2-Methoxy-1,3-benzenediol # | 2-O-methylpyrogallol | KBio3_002299 | 2-Methoxyresorcinol | Spectrum4_001560 | DTXSID60183520 | 1,3-Benzenediol, 2-methoxy- | KBio2_000878 | RESORCINOL, 2-METHOXY- | EINECS 249-542-1 | Spectrum5_000160 | SR-05000002376-1 | NC

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528757452

Sourires canoniques

COC1=C(C=CC=C1O)O

IUPAC Name

2-methoxybenzene-1,3-diol

InChIKey

QFYYAIBEHOEZKC-UHFFFAOYSA-N

INCHI

1S/C7H8O3/c1-10-7-5(8)3-2-4-6(7)9/h2-4,8-9H,1H3

Isomères SMILES

COC1=C(C=CC=C1O)O

Poids moléculaire

140.14

Reaxy-Rn

2613591

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2613591&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Resorcinols Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Methoxybenzene - Resorcinol - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: Not available

Data sources

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

Cibles associées (humaines)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Dichloromethane, Ethanol, Ethyl Acetate and Methanol
• Point de fusion (°C): 82-84° C
• Poids moléculaire: 140.140 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.047 Da
• Monoisotopic Mass: 140.047 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1