기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)c1cc(O)c2c(c1)OC(CO)C2- InChIKey
QDRZXIXHLGDANF-UHFFFAOYSA-N- 분자식
- C14H18O5
- 평균 분자량
- 266.29 g/mol
- 단동위원소 질량
- 266.11542368
이름 및 식별자
- 우선 이름
- tert-Butyl 4-hydroxy-2-(hydroxymethyl)-2,3-dihydrobenzofuran-6-carboxylate
- IUPAC
- tert-butyl 4-hydroxy-2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-6-carboxylate
- 현지명
- 6-BENZOFURANCARBOXYLICACID,2,3-DIHYDRO-4-HYDROXY-2-(HYDROXYMETHYL)-,1,1-DIMETHYLETHYL에스테르
- 영어명
- 6-Benzofurancarboxylic acid, 2,3-dihydro-4-hydroxy-2-(hydroxymethyl)-, 1,1-dimethylethyl ester
- 분자식
- C14H18O5
- 분자량
- 0
이름 및 동의어
955885-88-8tert-Butyl 4-hydroxy-2-(hydroxymethyl)-2,3-dihydrobenzofuran-6-carboxylatetert-Butyl 4-hydroxy-2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-6-carboxylateSCHEMBL642737DTXSID40648627QDRZXIXHLGDANF-UHFFFAOYSA-Ntert-Butyl4-hydroxy-2-(hydroxymethyl)-2,3-dihydrobenzofuran-6-carboxylateDB-4055524-Hydroxy-2-hydroxymethyl-2,3-dihydro-benzofuran-6-carboxylic acid tert-butyl ester6-BENZOFURANCARBOXYLICACID,2,3-DIHYDRO-4-HYDROXY-2-(HYDROXYMETHYL)-,1,1-DIMETHYLETHYL에스테르6-Benzofurancarboxylic acid, 2,3-dihydro-4-hydroxy-2-(hydroxymethyl)-, 1,1-dimethylethyl ester
데이터베이스 식별자
- CAS
955885-88-8- PubChem CID
- 25067321
- DTXSID
DTXSID40648627
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 76 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 335
물리화학적 성질
- 저장 조건
- 2 · 2-8°C
안전 및 규제
안전 데이터
- HS 번호
- 2916399090
화학 및 산업
공급사2 곳
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
관련 반응
15건
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