CAS 51389-84-5 Benzoic acid, 2-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]- (HCID 3084978)

기본 정보

CAS: 51389-84-5
표준 SMILES: CCn1c(C)c(C(=O)c2ccccc2C(=O)O)c2ccccc21
InChIKey: ZWVBUDPQGPFIRX-UHFFFAOYSA-N
분자식: C19H17NO3
평균 분자량: 307.3 g/mol
단동위원소 질량: 307.1208434

이름 및 식별자

우선 이름: Benzoic acid, 2-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]-
IUPAC: 2-(1-ethyl-2-methylindole-3-carbonyl)benzoic acid
현지명: o-[(1-에틸-2-메틸-1H-인돌-3-일)카르보닐]벤조산
영어명: o-[(1-Ethyl-2-methyl-1H-indol-3-yl)carbonyl]benzoic acid
분자식: C19H17NO3
분자량: 307.34

이름 및 동의어

Benzoic acid, 2-((1-ethyl-2-methyl-1H-indol-3-yl)carbonyl)-DTXSID2068634Benzoic acid, 2-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]-RefChem:565468DTXCID104100951389-84-5SCHEMBL91987962-(1-ethyl-2-methyl-1H-indole-3-carbonyl)benzoic acid3-(o-carboxybenzoyl)-1-ethyl-2-methylindole3-(2'-carboxybenzoyl)-1-ethyl-2-methylindole3-(2'-carboxybenzoyl)-1-ethyl-2-methyl-indole2-(1-ethyl-2-methyl-3-indolylcarbonyl)benzoic acid

이름 더 보기

o-[(1-에틸-2-메틸-1H-인돌-3-일)카르보닐]벤조산o-[(1-Ethyl-2-methyl-1H-indol-3-yl)carbonyl]benzoic acid

2-(1-ethyl-2-methylindol-3-yl)carbonylbenzoic acid(1-ethyl-2-methylindol-3-yl) (2-carboxyphenyl)ketone2-[(1-ethyl-2-methyl-3-indolyl)carbonyl]benzoic acid

데이터베이스 식별자

CAS: 51389-84-5
PubChem CID: 3084978
DTXSID

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 59.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 23
형식 전하: 0
복잡도: 464

물리화학적 성질

끓는 점: 528 · 528.0±40.0 °C(Predicted)
밀도: 1.21 · 1.21±0.1 g/cm3(Predicted)
산도 계수 (pKa): 3.36 · 3.36±0.36(Predicted)
EPA: 2 · Benzoic acid, 2-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]- (51389-84-5)