디메틸4'-메틸[1,1'-비페닐]-2,5-디카르복실레이트

[1,1'-Biphenyl]-2,5-dicarboxylic acid, 4'-methyl-, 2,5-dimethyl ester

HCID 105655CAS 67801-53-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1ccc(C(=O)OC)c(-c2ccc(C)cc2)c1
InChIKey: LETKDZPIJVKUHW-UHFFFAOYSA-N
분자식: C17H16O4
평균 분자량: 284.31 g/mol
단동위원소 질량: 284.10485899

이름 및 식별자

우선 이름: [1,1'-Biphenyl]-2,5-dicarboxylic acid, 4'-methyl-, 2,5-dimethyl ester
IUPAC: dimethyl 2-(4-methylphenyl)benzene-1,4-dicarboxylate
현지명: 디메틸4'-메틸[1,1'-비페닐]-2,5-디카르복실레이트
영어명: dimethyl 4'-methyl[1,1'-biphenyl]-2,5-dicarboxylate
분자식: C17H16O4
분자량: 284.31

이름 및 동의어

EINECS 267-172-9[1,1'-Biphenyl]-2,5-dicarboxylic acid, 4'-methyl-, dimethyl ester(1,1'-Biphenyl)-2,5-dicarboxylic acid, 4'-methyl-, dimethyl ester(1,1'-Biphenyl)-2,5-dicarboxylic acid, 4'-methyl-, 2,5-dimethyl ester[1,1'-Biphenyl]-2,5-dicarboxylic acid, 4'-methyl-, 2,5-dimethyl esterRefChem:39104667801-53-0Dimethyl 4'-methyl(1,1'-biphenyl)-2,5-dicarboxylateDIMETHYL 4'-METHYL[1,1'-BIPHENYL]-2,5-DICARBOXYLATESCHEMBL9423312DTXSID3070622SCHEMBL30571934

이름 더 보기

디메틸4'-메틸[1,1'-비페닐]-2,5-디카르복실레이트Dimethyl (1,1'-biphenyl)-2,5-dicarboxylate4'-Methyl-1,1'-biphenyl-2,5-dicarboxylic acid dimethyl ester

Dimethyl2-(4-tolyl)terephthalateDimethyl-2-(4-toluyl)terepthalateDimethyl-2-(4-tolyl)terephthalateDimethyl-2-(4-toluyl)terephthalateDimethyl-2-(4-toluyl)-terepthalateDimethyl-2-(4-toluyl)-terephthalateNS00036183

데이터베이스 식별자

CAS: 67801-53-0
PubChem CID: 105655
DTXSID: DTXSID3070622
EC Number: 267-172-9
Nikkaji: J317.170A

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 21
형식 전하: 0
복잡도: 371

물리화학적 성질

끓는 점: 438.3 · 438.3±40.0 °C(Predicted)
밀도: 1.152 · 1.152±0.06 g/cm3(Predicted)
EPA: 1 · [1,1'-Biphenyl]-2,5-dicarboxylic acid, 4'-methyl-, dimethyl ester (67801-53-0)