2-에톡시카보닐-5-인돌카르복시산

2-(Ethoxycarbonyl)-1H-indole-5-carboxylic acid

HCID 18071365

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 138731-14-3
표준 SMILES: CCOC(=O)c1cc2cc(C(=O)O)ccc2[nH]1
InChIKey: CAVYPAYXEMVXMS-UHFFFAOYSA-N
분자식: C12H11NO4
평균 분자량: 233.22 g/mol
단동위원소 질량: 233.06880783

이름 및 식별자

우선 이름: 2-(Ethoxycarbonyl)-1H-indole-5-carboxylic acid
IUPAC: 2-ethoxycarbonyl-1H-indole-5-carboxylic acid
현지명: 2-에톡시카보닐-5-인돌카르복시산
영어명: 2-Ethoxycabonyl-5-indole carboxylic acid
분자식: C12H11NO4
분자량: 233.22

이름 및 동의어

2-(ethoxycarbonyl)-1H-indole-5-carboxylic acid138731-14-3DTXSID70592508RefChem:84702DTXCID70543272831-011-6CAVYPAYXEMVXMS-UHFFFAOYSA-N2-ethoxycarbonyl-1H-indole-5-carboxylic acid1H-INDOLE-2,5-DICARBOXYLIC ACID 2-ETHYL ESTER2-(ethoxycarbonyl)indole-5-carboxylic acidMFCD090270482-ETHOXYCABONYL-5-INDOLE CARBOXYLIC ACID

이름 더 보기

2-에톡시카보닐-5-인돌카르복시산ethyl 5-dicarboxylic acid-1H-indole-2-carboxylate1a-Ethoxy-1,1-diMethyl-2,8-dioxo-1,1a,2,3,8,8a-hexahydrocyclopropa[b]carbazole-6-carboxylic acid

CHEMBL503643BDBM50268451AB49136CS-0074805EN300-305402-(ethoxycarbonyl)-1H-indole-5-carboxylicacidZ300087860FT-0745888

데이터베이스 식별자

CAS: 138731-14-3
PubChem CID: 18071365
DTXSID: DTXSID70592508
ChEMBL: CHEMBL503643
EC Number: 831-011-6

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 79.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 318

물리화학적 성질

저장 조건: Sealed in dry,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.