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2-(2-Phenylethoxy)benzoic acid , CAS No.883546-53-0
주문 가능
Storage
Room temperature
이 등급을 선택하는 이유
최소한의 기준선 간섭이 필요한 민감한 크로마토그래피 및 분석 워크플로우용.
보관 및 배송
Room temperature 출고. 정확한 사양은 로트별 COA를 확인하세요.
품질 문서
SDS, COA, 데이터시트, 사양서를 다운로드할 수 있습니다. 로트별 COA는 로트 번호 조회를 통해 확인할 수 있습니다.
문헌적 근거
크로마토그래피, 유기 합성 및 교차 커플링 반응 분야의 동료 심사 논문 0편에서 인용되었습니다.
사양
보관 조건
Room temperature
이름과 식별자
정식 스마일
C1=CC=C(C=C1)CCOC2=CC=CC=C2C(=O)O
IUPAC Name
2-(2-phenylethoxy)benzoic acid
InChIKey
FPFOIMVFHYUQTD-UHFFFAOYSA-N
INCHI
1S/C15H14O3/c16-15(17)13-8-4-5-9-14(13)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17)
분자량
242.270
문서
📋 안전 데이터 시트(SDS)
위험성, 취급, 보관 및 규제 준수를 포괄하는 종합 문서.
<<<<<<< HEAD SDS 다운로드 → ======= SDS 다운로드 → >>>>>>> release248-p3고급 데이터
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| 분류 | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acids |
| Alternative Parents | Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoic acid - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group. |
| External Descriptors | Not available |
3D 구조
상호 작용 화학 구조 모델
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
| 분자량 | 242.270 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 242.094 Da |
| Monoisotopic Mass | 242.094 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 258.000 |
| 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 |
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