기본 정보
- CAS
1212351-49-9- 표준 SMILES
CCOc1ccc(C2C(C(=O)OC)C(O)=C(C(=O)OC)C(c3ccc(C#N)cc3)C2(C#N)C#N)cc1- InChIKey
MAIWVGLDMMNKHL-UHFFFAOYSA-N- 분자식
- C27H23N3O6
- 평균 분자량
- 485.5 g/mol
이름 및 식별자
- 우선 이름
- Dimethyl 5,5-dicyano-6-(4-cyanophenyl)-4-(4-ethoxyphenyl)-2-hydroxy-1-cyclohexene-1,3-dicarboxylate
- IUPAC
- dimethyl 5,5-dicyano-6-(4-cyanophenyl)-4-(4-ethoxyphenyl)-2-hydroxycyclohexene-1,3-dicarboxylate
- 영어명
- DIMETHYL 5,5-DICYANO-6-(4-CYANOPHENYL)-4-(4-ETHOXYPHENYL)-2-HYDROXY-1-CYCLOHEXENE-1,3-DICARBOXYLATE
- 분자식
- C27H23N3O6
- 분자량
- 485.49
이름 및 동의어
1212351-49-9dimethyl 5,5-dicyano-6-(4-cyanophenyl)-4-(4-ethoxyphenyl)-2-hydroxy-1-cyclohexene-1,3-dicarboxylate1,3-dimethyl 5,5-dicyano-6-(4-cyanophenyl)-4-(4-ethoxyphenyl)-2-hydroxycyclohex-1-ene-1,3-dicarboxylatedimethyl 5,5-dicyano-6-(4-cyanophenyl)-4-(4-ethoxyphenyl)-2-hydroxycyclohexene-1,3-dicarboxylateAKOS0050908273X-09041,3-dimethyl5,5-dicyano-6-(4-cyanophenyl)-4-(4-ethoxyphenyl)-2-hydroxycyclohex-1-ene-1,3-dicarboxylate1-Cyclohexene-1,3-dicarboxylic acid, 5,5-dicyano-6-(4-cyanophenyl)-4-(4-ethoxyphenyl)-2-hydroxy-, 1,3-dimethyl ester
데이터베이스 식별자
- CAS
1212351-49-9
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 153 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 1,010
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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