기본 정보
- CAS
179420-67-8- 표준 SMILES
CCOC(=O)C1(c2cc(O)cc(F)c2)CCOCC1- InChIKey
WSNKLYIWJLWVDJ-UHFFFAOYSA-N- 분자식
- C14H17FO4
- 평균 분자량
- 268.28 g/mol
- 단동위원소 질량
- 268.11108718
이름 및 식별자
- 우선 이름
- 4-(3-Fluoro-5-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylate Ethyl
- IUPAC
- ethyl 4-(3-fluoro-5-hydroxyphenyl)oxane-4-carboxylate
- 영어명
- 4-(3-Fluoro-5-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylate Ethyl
- 분자식
- C14H17FO4
- 분자량
- 268.28
이름 및 동의어
179420-67-84-(3-Fluoro-5-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylate Ethylethyl 4-(3-fluoro-5-hydroxyphenyl)oxane-4-carboxylateEthyl 4-(3-fluoro-5-hydroxyphenyl)tetrahydro-2H-pyran-4-carboxylate4-(3-Fluoro-5-hydroxyphenyl)tetrahydro-2H-pyran-4-carboxylic Acid Ethyl EsterWSNKLYIWJLWVDJ-UHFFFAOYSA-NSCHEMBL1600273Ethyl 4(5-fluoro3-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylateethyl 4-(5-fluoro-3-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylate2H-Pyran-4-carboxylic acid, 4-(3-fluoro-5-hydroxyphenyl)tetrahydro-, ethyl ester
데이터베이스 식별자
- CAS
179420-67-8- PubChem CID
- 18786374
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 315
물리화학적 성질
- 끓는 점
- 395.4 · 395.4±42.0 °C(Predicted)
- 밀도
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.93 · 8.93±0.10(Predicted)
화학 및 산업
응용 분야
용도4-(3-Fluoro-5-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylate Ethyl is an intermediate used in the synthesis of an imidazole 5-lipoxygenase (5-LO) inhibitor.
공급사4 곳
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