에틸5-히드록시인돌-2-카르복실레이트

Ethyl 5-hydroxy-1H-indole-2-carboxylate

HCID 90677CAS 24985-85-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)c1cc2cc(O)ccc2[nH]1
InChIKey: WANAXLMRGYGCPC-UHFFFAOYSA-N
분자식: C11H11NO3
평균 분자량: 205.21 g/mol
단동위원소 질량: 205.07389321

개요

Ethyl 5-hydroxyindole-2-carboxylate has been reported in Solanum lycopersicum with data available.

이름 및 식별자

우선 이름: Ethyl 5-hydroxy-1H-indole-2-carboxylate
IUPAC: ethyl 5-hydroxy-1H-indole-2-carboxylate
현지명: 에틸5-히드록시인돌-2-카르복실레이트
영어명: Ethyl 5-hydroxyindole-2-carboxylate
분자식: C11H11NO3
분자량: 205.21

이름 및 동의어

24985-85-1Ethyl 5-hydroxyindole-2-carboxylateEthyl 5-hydroxy-1H-indole-2-carboxylate5-Hydroxy-1H-indole-2-carboxylic acid ethyl ester1H-Indole-2-carboxylic acid, 5-hydroxy-, ethyl esterMFCD000154585-hydroxyindole-2-carboxylic acid ethyl esterEthyl5-hydroxyindole-2-carboxylateEINECS 246-554-92-Carbethoxy-5-hydroxyindoleSCHEMBL8292132-carbethoxy-5-hydroxy-indole

이름 더 보기

에틸5-히드록시인돌-2-카르복실레이트5-HO-ICA-OEtEthyl 5-hydroxyindole-2-carboxylate, 98+%5-HYDOXYINDOLE-2-CARBOXYLIC ACID, ETHYL ESTER5-Hydroxy-2-indolecarboxylic acid ethyl ester

DTXSID00179700SBB066622AKOS015843451AC-6610CS-W015378FH30383ethyl 5-hydroxy-1H-2-indolecarboxylateAS-37903

데이터베이스 식별자

CAS: 24985-85-1
PubChem CID: 90677
DTXSID: DTXSID00179700
EC Number: 246-554-9
Nikkaji: J267.228F

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 62.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 244

물리화학적 성질

녹는점: 150 · 150-151°C
끓는 점: 410.4 · 410.4±25.0 °C(Predicted)
밀도: 1.326 · 1.326±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 9.59 · 9.59±0.40(Predicted)
수용성: 물에 불용성.
BRN: 476925 · 476925
NIST: 5 · Ethyl 5-hydroxyindole-2-carboxylate(24985-85-1)

안전 및 규제

안전 데이터

safety_code: 22-24/25

화학 및 산업

응용 분야

용도Ethyl 5-hydroxyindole-2-carboxylate is used as an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs.