기본 정보
- CAS
104305-95-5- 표준 SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(=O)O)C1c1cccc([N+](=O)[O-])c1- InChIKey
HWGRWZAHCKCUSI-UHFFFAOYSA-N- 분자식
- C18H18N2O8
- 평균 분자량
- 390.3 g/mol
- 단동위원소 질량
- 390.10631554
이름 및 식별자
- 우선 이름
- 3-(Carboxymethyl) 5-methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
- IUPAC
- 2-[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyacetic acid
- 현지명
- 3,5-피리딘디카르복실산,1,4-디히드로-2,6-디메틸-4-(3-니트로페닐)-,카르복시메틸메틸에스테르
- 영어명
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophen yl)-, carboxymethyl methyl ester
- 분자식
- C18H18N2O8
- 분자량
- 390.34
이름 및 동의어
DHM 9104305-95-594HD69LL1T3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, carboxymethyl methyl esterDHM9RefChem:9110583-(Carboxymethyl) 5-methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylateDHM-92-[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyacetic acidUNII-94HD69LL1TSCHEMBL30357976DTXSID00908911
이름 더 보기
3,5-피리딘디카르복실산,1,4-디히드로-2,6-디메틸-4-(3-니트로페닐)-,카르복시메틸메틸에스테르3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophen yl)-, carboxymethyl methyl ester1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid 3-carboxymethyl 5-methyl ester
Carboxylmethyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinecarboxylate3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophen yl)-, carboxymethyl methyl esQ27271685{[5-(Methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxy}acetic acid3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 3-(CARBOXYMETHYL) 5-METHYL ESTER
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 148 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 749
물리화학적 성질
- 끓는 점
- 576.8 · 576.8±50.0 °C(Predicted)
- 밀도
- 1.377 · 1.377±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.68 · 2.68±0.70(Predicted)
화학 및 산업
공급사1 곳
济南思考化学有限公司0531-0000 · [email protected]
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