3-Methoxy-5-methylbenzaldehyde - ≥97% , CAS No.90674-26-3

CAS: 90674-26-3 Cat. No.: M636129 Summenformel: C₉H₁₀O₂ Molekulargewicht: 150.18 EG-Nummer: 857-596-8

GRADE & PURITY ≥97%

Synonyms

AGEOJPQWDHZBRF-UHFFFAOYSA-N | Z1198308161 | A853322 | SY104407 | 3-METHOXY-5-METHYLBENZALDEHYDE | 3-methoxy-5-methyl-benzaldehyde | SCHEMBL5883049 | CL9236 | DTXSID80454921 | AB63000 | AKOS006307612 | AS-10314 | FT-0766429 | EN300-195986 | MFCD11046639 |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

AGEOJPQWDHZBRF-UHFFFAOYSA-N | Z1198308161 | A853322 | SY104407 | 3-METHOXY-5-METHYLBENZALDEHYDE | 3-methoxy-5-methyl-benzaldehyde | SCHEMBL5883049 | CL9236 | DTXSID80454921 | AB63000 | AKOS006307612 | AS-10314 | FT-0766429 | EN300-195986 | MFCD11046639 |

Spezifikationen & Reinheit

≥97%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528759078

Kanonisches Lächeln

CC1=CC(=CC(=C1)OC)C=O

IUPAC Name

3-methoxy-5-methylbenzaldehyde

InChIKey

AGEOJPQWDHZBRF-UHFFFAOYSA-N

INCHI

1S/C9H10O2/c1-7-3-8(6-10)5-9(4-7)11-2/h3-6H,1-2H3

Isomere SMILES

CC1=CC(=CC(=C1)OC)C=O

Alternative CAS-Nummer

90674-26-3

Molekulargewicht

150.18

Reaxy-Rn

2612507

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2612507&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzaldehydes Anisoles Toluenes Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anisole - Benzaldehyde - Benzoyl - Phenol ether - Methoxybenzene - Phenoxy compound - Toluene - Aryl-aldehyde - Alkyl aryl ether - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 150.170 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.068 Da
• Monoisotopic Mass: 150.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 134.000
• 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