4-Propoxyphthalonitrile - ≥95% , CAS No.106144-18-7

CAS: 106144-18-7 Cat. No.: P160097 분자식: C₁₁H₁₀N₂O 분자량: 186.21 EC 번호: 679-837-4 PubChem CID: 588896

등급 & 순도 ≥95%

Synonyms

BS-44052 | RDLZRCSOLOTEPK-UHFFFAOYSA-N | MFCD00059102 | DTXSID60343304 | 4-Propoxyphthalonitrile | P1070 | FT-0712830 | 4-N-Propoxyphthalonitrile | SCHEMBL13482321 | 4propoxy phthalonitrile | AKOS015839608 | 4-propoxybenzene-1,2-dicarbonitrile | 1,2-Dicya

Storage

Room temperature

Shipped In

Normal

사양

동의어

BS-44052 | RDLZRCSOLOTEPK-UHFFFAOYSA-N | MFCD00059102 | DTXSID60343304 | 4-Propoxyphthalonitrile | P1070 | FT-0712830 | 4-N-Propoxyphthalonitrile | SCHEMBL13482321 | 4propoxy phthalonitrile | AKOS015839608 | 4-propoxybenzene-1,2-dicarbonitrile | 1,2-Dicya

사양 및 순도

≥95%

보관 조건

Room temperature

배송

Normal

순수함

≥95%

이름과 식별자

Pubchem Sid

488190494

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190494

정식 스마일

CCCOC1=CC(=C(C=C1)C#N)C#N

IUPAC Name

4-propoxybenzene-1,2-dicarbonitrile

InChIKey

RDLZRCSOLOTEPK-UHFFFAOYSA-N

INCHI

1S/C11H10N2O/c1-2-5-14-11-4-3-9(7-12)10(6-11)8-13/h3-4,6H,2,5H2,1H3

이성체 SMILES

CCCOC1=CC(=C(C=C1)C#N)C#N

PubChem CID

588896

분자량

186.21

Reaxy-Rn

5429013

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Benzonitriles Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Benzonitrile - Alkyl aryl ether - Monocyclic benzene moiety - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

화학 및 물리적 특성

• 분자량: 186.210 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 186.079 Da
• Monoisotopic Mass: 186.079 Da
• Topological Polar Surface Area: 56.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 270.000
• 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