3-(4-Methoxyphenoxy)propanol - ≥97% , CAS No.118943-21-8

CAS: 118943-21-8 Cat. No.: M349630 Formula: C₁₀H₁₄O₃ Peso molecolare: 182.22

QUALITÀ & PUREZZA ≥97%

Synonyms

3-(4-Methoxyphenoxy)propanol,98% | SCHEMBL970989 | DTXSID00307324 | WMPCMSDCGYUKGU-UHFFFAOYSA-N | 3-(4-METHOXYPHENOXY)-1-PROPANOL 98 | 3-(4-Methoxyphenoxy)propanol | 3-(4-Methoxyphenoxy)propanol, 98% | A1-23255 | AKOS005363329 | J-003924 | 3-(4-methoxyph

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

3-(4-Methoxyphenoxy)propanol,98% | SCHEMBL970989 | DTXSID00307324 | WMPCMSDCGYUKGU-UHFFFAOYSA-N | 3-(4-METHOXYPHENOXY)-1-PROPANOL 98 | 3-(4-Methoxyphenoxy)propanol | 3-(4-Methoxyphenoxy)propanol, 98% | A1-23255 | AKOS005363329 | J-003924 | 3-(4-methoxyph

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488189398

Sorrisi canonici

COC1=CC=C(C=C1)OCCCO

IUPAC Name

3-(4-methoxyphenoxy)propan-1-ol

InChIKey

WMPCMSDCGYUKGU-UHFFFAOYSA-N

INCHI

1S/C10H14O3/c1-12-9-3-5-10(6-4-9)13-8-2-7-11/h3-6,11H,2,7-8H2,1H3

Isomeri SMILES

COC1=CC=C(C=C1)OCCCO

WGK Germania

3

Peso molecolare

182.22

Reaxy-Rn

5808948

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5808948&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 182.220 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 182.094 Da
• Monoisotopic Mass: 182.094 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 119.000
• 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