기본 정보
- 표준 SMILES
Cc1c(C)c2c(c(C)c1O)C(C)(C)CC(=O)O2- InChIKey
NWBXBARTRIEVKH-UHFFFAOYSA-N- 분자식
- C14H18O3
- 평균 분자량
- 234.29 g/mol
- 단동위원소 질량
- 234.12559443
이름 및 식별자
- 우선 이름
- 6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin
- IUPAC
- 6-hydroxy-4,4,5,7,8-pentamethyl-3H-chromen-2-one
이름 및 동의어
40662-76-86-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin6-hydroxy-4,4,5,7,8-pentamethylchroman-2-one6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-2-one6-hydroxy-4,4,5,7,8-pentamethyl-3H-chromen-2-oneMFCD26394817Dihydrocoumarin-6-ol, 4,4,5,7,8-pentamethyl-SCHEMBL1106622CHEMBL4590451WS-01013DB-296540D85481
이름 더 보기
6-hydroxy-4,4,5,7,8-pentamethyl-chroman-2-oneF8414906-Hydroxy-4,4,5,7,8-pentamethyl-2-chromanone #6-hyroxy-4,4,5,7,8-pentamathyl-3,4-dihydrocoumarin6-hydroxhy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin6-hydroxy-4,4,5,7,8-pentamethylo-3,4-dihydrocoumarinCoumarin-6-ol, 3,4-dihydro-4,4,5,7,8-pentamethyl-Coumarin-6-ol, 3,4-dihydro-4,4-dimethyl-5,7,8-trimethyl-
데이터베이스 식별자
- PubChem CID
- 616349
- ChEMBL
CHEMBL4590451- Nikkaji
- J1.527.283J
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 323
관련 반응
2건
화합물 노트
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