기본 정보
- CAS
19314-77-3- 표준 SMILES
COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(OC)c(C(=O)OC)c2OC)c(C)c1OC- InChIKey
KTFFLXWSRYDURC-UHFFFAOYSA-N- 분자식
- C23H26O9
- 평균 분자량
- 446.4 g/mol
이름 및 식별자
- 우선 이름
- 1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate
- IUPAC
- 1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate
- 영어명
- 2,4-Dimethoxy-6-methylisophthalic acid 1-[3,6-dimethyl-5-methoxy-4-(methoxycarbonyl)phenyl]3-methyl ester
- 분자식
- C23H26O9
- 분자량
- 446.45
이름 및 동의어
KTFFLXWSRYDURC-UHFFFAOYSA-N1-O-(3-methoxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-O-methyl 2,4-dimethoxy-6-methylbenzene-1,3-dicarboxylate19314-77-3Isophthalic acid, 2,4-dimethoxy-6-methyl-, 3-methyl ester, ester with methyl 4-hydroxy-3,6-dimethyl-o-anisate1-[3-Methoxy-4-(methoxycarbonyl)-2,5-dimethylphenyl] 3-methyl 2,4-dimethoxy-6-methylisophthalate #2,4-Dimethoxy-6-methylisophthalic acid 1-[3,6-dimethyl-5-methoxy-4-(methoxycarbonyl)phenyl]3-methyl ester1,3-Benzenedicarboxylic acid, 2,4-dimethoxy-6-methyl-, 1-[3-methoxy-4-(methoxycarbonyl)-2,5-dimethylphenyl] 3-methyl ester
데이터베이스 식별자
- CAS
19314-77-3- Nikkaji
- J188.181G
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 666
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