기본 정보
- 표준 SMILES
COC(=O)Cc1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1- InChIKey
MNYSQPXCOWTNQR-UHFFFAOYSA-N- 분자식
- C16H23BO5
- 평균 분자량
- 306.2 g/mol
이름 및 식별자
- 우선 이름
- Methyl 2-(4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)acetate
- IUPAC
- methyl 2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
이름 및 동의어
944317-65-1METHYL 2-(4-METHOXY-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETATEmethyl 2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetateSCHEMBL137360MNYSQPXCOWTNQR-UHFFFAOYSA-NMFCD16996348MB20548[4-methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-acetic acid methyl ester4-METHOXY-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZENEACETIC ACID, METHYL ESTERDA-00420CS-0132864E81635
이름 더 보기
F618594[2-Methoxy-5-(2-methoxy-2-oxoethyl)phenyl]boronic Acid Pinacol Estermethyl [4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetateMETHYL2-(4-METHOXY-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETATE[4-methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl) -phenyl]-acetic acid methyl ester[4-methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]acetic acid methyl ester
데이터베이스 식별자
- PubChem CID
- 57576289
물성
구조 계산 물성
- 극성 표면적
- 54 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 393
관련 반응
30건
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