기본 정보
- CAS
1217808-02-0- 표준 SMILES
COC(=O)C1=C(O)C(C(=O)OC)C(c2ccc(C#N)cc2)C(C#N)(C#N)C1c1ccc(F)cc1- InChIKey
GLVXBVCWWLYFCK-UHFFFAOYSA-N- 분자식
- C25H18FN3O5
- 평균 분자량
- 459.4 g/mol
- 단동위원소 질량
- 459.12304885
이름 및 식별자
- 우선 이름
- Dimethyl 5,5-dicyano-4-(4-cyanophenyl)-6-(4-fluorophenyl)-2-hydroxy-1-cyclohexene-1,3-dicarboxylate
- IUPAC
- dimethyl 5,5-dicyano-4-(4-cyanophenyl)-6-(4-fluorophenyl)-2-hydroxycyclohexene-1,3-dicarboxylate
- 영어명
- DIMETHYL 5,5-DICYANO-4-(4-CYANOPHENYL)-6-(4-FLUOROPHENYL)-2-HYDROXY-1-CYCLOHEXENE-1,3-DICARBOXYLATE
- 분자식
- C25H18FN3O5
- 분자량
- 459.43
이름 및 동의어
1217808-02-0dimethyl 5,5-dicyano-4-(4-cyanophenyl)-6-(4-fluorophenyl)-2-hydroxy-1-cyclohexene-1,3-dicarboxylate1,3-dimethyl 5,5-dicyano-4-(4-cyanophenyl)-6-(4-fluorophenyl)-2-hydroxycyclohex-1-ene-1,3-dicarboxylatedimethyl 5,5-dicyano-4-(4-cyanophenyl)-6-(4-fluorophenyl)-2-hydroxycyclohexene-1,3-dicarboxylateAKOS0050911533X-08801,3-dimethyl5,5-dicyano-4-(4-cyanophenyl)-6-(4-fluorophenyl)-2-hydroxycyclohex-1-ene-1,3-dicarboxylateDimethyl 2',2',4''-tricyano-4-fluoro-5'-hydroxy-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-4',6'-dicarboxylate1-Cyclohexene-1,3-dicarboxylic acid, 5,5-dicyano-4-(4-cyanophenyl)-6-(4-fluorophenyl)-2-hydroxy-, 1,3-dimethyl ester
데이터베이스 식별자
- CAS
1217808-02-0- PubChem CID
- 54679174
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 144 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 979
물리화학적 성질
- 끓는 점
- 674.9 · 674.9±55.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…