Syringaldehyde - 10mM in DMSO , CAS No.134-96-3

CAS: 134-96-3 Cat. No.: S421315 분자식: C₉H₁₀O₄ 분자량: 182.17 Beilstein Registry Number: 784514 EC 번호: 205-167-5 PubChem CID: 8655

등급 & 순도 10mM in DMSO

Synonyms

AC-7993 | 4-Hydroksy-3,5-dwumetoksybenzaldehyd [Polish] | Syringylaldehyde | AP-065/41884112 | bmse010204 | STK801968 | Benzaldehyde, 3,5-dimethoxy-4-hydroxy- | Q411695 | 4-Hydroksy-3,5-dwumetoksybenzaldehyd | Cedar aldehyde | MFCD00006943 | syringaldehye

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

사양

동의어

AC-7993 | 4-Hydroksy-3,5-dwumetoksybenzaldehyd [Polish] | Syringylaldehyde | AP-065/41884112 | bmse010204 | STK801968 | Benzaldehyde, 3,5-dimethoxy-4-hydroxy- | Q411695 | 4-Hydroksy-3,5-dwumetoksybenzaldehyd | Cedar aldehyde | MFCD00006943 | syringaldehye

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

Pubchem Sid

528768970

정식 스마일

COC1=CC(=CC(=C1O)OC)C=O

IUPAC Name

4-hydroxy-3,5-dimethoxybenzaldehyde

InChIKey

KCDXJAYRVLXPFO-UHFFFAOYSA-N

INCHI

1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3

이성체 SMILES

COC1=CC(=CC(=C1O)OC)C=O

WGK 독일

3

RTECS

CU5760000

PubChem CID

8655

UN 번호

1988

분자량

182.17

Beilstein

784514

Reaxy-Rn

784514

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Dimethoxybenzenes Hydroxybenzaldehydes Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Dimethoxybenzene - M-dimethoxybenzene - Hydroxybenzaldehyde - Anisole - Benzaldehyde - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aryl-aldehyde - Monocyclic benzene moiety - Ether - Organooxygen compound - Aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: 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: dimethoxybenzene - hydroxybenzaldehyde

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

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작용 메커니즘

화학 및 물리적 특성

• 감도: Air & Light sensitive.
• 끓는점(°C): 192-193°C
• 녹는점(°C): 110-113°C
• 분자량: 182.170 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.058 Da
• Monoisotopic Mass: 182.058 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 157.000
• 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