4-Hydroxy-4-(6-methoxypyridin-3-YL)cyclohexanone

HCID 52987995

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 708273-57-8
표준 SMILES: COc1ccc(C2(O)CCC(=O)CC2)cn1
InChIKey: VQZVMRZEBPGSFQ-UHFFFAOYSA-N
분자식: C12H15NO3
평균 분자량: 221.25 g/mol
단동위원소 질량: 221.10519334

개요

See also: 4-Hydroxy-4-(6-methoxy-3-pyridinyl)-cyclohexanone (annotation moved to).

이름 및 식별자

우선 이름: 4-Hydroxy-4-(6-methoxypyridin-3-YL)cyclohexanone
IUPAC: 4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexan-1-one
영어명: 4-Hydroxy-4-(6-methoxypyridin-3-yl)cyclohexanone
분자식: C12H15NO3
분자량: 221.25

이름 및 동의어

708273-57-84-HYDROXY-4-(6-METHOXYPYRIDIN-3-YL)CYCLOHEXANONE4-hydroxy-4-(6-methoxy-3-pyridyl)cyclohexanone4-HYDROXY-4-(6-METHOXYPYRIDIN-3-YL)CYCLOHEXAN-1-ONEMFCD13185918SCHEMBL628750DTXSID00681015VQZVMRZEBPGSFQ-UHFFFAOYSA-NCS-M3179AC1955AKOS016003115AC-23327

이름 더 보기

4-Hydroxy-4-(6-Methoxy-3-pyridinyl)cyclohexanoneCyclohexanone, 4-hydroxy-4-(6-methoxy-3-pyridinyl)-4-Hydroxy-4-(6-methoxypyridin-3-yl)cyclohexanone ISO 9001：2015 REACH

CS-12731SY224118DB-074350F7900894-Hydroxy-4-(6-methoxy-pyridin-3-yl)-cyclohexanone708273-57-8, 4-HYDROXY-4-(6-METHOXYPYRIDIN-3-YL)CYCLOHEXANONE, AG-G-76847, SureCN628750, CTK5D3043, MolPort-009-199-725, ANW-58207, AKOS016003115, AK-86956, KB-192677, FT-0689459, 4-Hydroxy-4-(6-methoxypyridin-3-yl)cyclohexanone;, Cyclohexanone,4-hydroxy-4-(6-methoxy-3-pyridinyl)-, 4-HYDROXY-4-(6-METHOXY(PYRIDIN-3-YL))CYCLOHEXANONE

데이터베이스 식별자

CAS: 708273-57-8
PubChem CID: 52987995
DTXSID: DTXSID00681015

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 59.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 257

물리화학적 성질

밀도: 1.23 · 1.230
저장 조건: 2 · 2-8°C
물리적 상태: solid
InChI: 1S/C12H15NO3/c1-16-11-3-2-9(8-13-11)12(15)6-4-10(14)5-7-12/h2-3,8,15H,4-7H2,1H3
InChIKey: VQZVMRZEBPGSFQ-UHFFFAOYSA-N
SMILES: O=C(CC1)CCC1(O)C2=CN=C(OC)C=C2