WAY-325360 - ≥97% , CAS No.402767-66-2

CAS: 402767-66-2 Cat. No.: W417084 분자식: C₁₆H₁₂O₄ 분자량: 268.268 PubChem CID: 580602

GRADE & PURITY ≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

high inhibition rate against osteoclast formation

Specifications

사양 및 순도

≥97%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥97%

이름과 식별자

Pubchem Sid

528767933

정식 스마일

C1=CC=C2C(=C1)C=CC=C2OCC3=CC=C(O3)C(=O)O

IUPAC Name

5-(naphthalen-1-yloxymethyl)furan-2-carboxylic acid

InChIKey

DVUUCZPXJSZJNK-UHFFFAOYSA-N

INCHI

1S/C16H12O4/c17-16(18)15-9-8-12(20-15)10-19-14-7-3-5-11-4-1-2-6-13(11)14/h1-9H,10H2,(H,17,18)

이성체 SMILES

C1=CC=C2C(=C1)C=CC=C2OCC3=CC=C(O3)C(=O)O

PubChem CID

580602

분자량

268.268

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Furoic acids Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Furoic acid or derivatives - Furoic acid - Alkyl aryl ether - Furan - Heteroaromatic compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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: 268.260 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 268.074 Da
• Monoisotopic Mass: 268.074 Da
• Topological Polar Surface Area: 59.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 343.000
• 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