2-OXO-2,3-DIHYDRO-1H-인돌-6-카르복실산

2-Oxo-1,3-dihydroindole-6-carboxylic acid

HCID 7213323CAS 33495-09-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1Cc2ccc(C(=O)O)cc2N1
InChIKey: IIKVTJWRBSYRSA-UHFFFAOYSA-N
분자식: C9H7NO3
평균 분자량: 177.16 g/mol
단동위원소 질량: 177.04259308

이름 및 식별자

우선 이름: 2-Oxo-1,3-dihydroindole-6-carboxylic acid
IUPAC: 2-oxo-1,3-dihydroindole-6-carboxylic acid
현지명: 2-OXO-2,3-DIHYDRO-1H-인돌-6-카르복실산
영어명: 2-Oxo-2,3-dihydro-1H-indole-6-carboxylic acid
분자식: C9H7NO3
분자량: 177.16

이름 및 동의어

2-oxo-1,3-dihydroindole-6-carboxylic Acid33495-09-9RefChem:477640857-303-3334952-09-92-oxoindoline-6-carboxylic acid6-Carboxyoxindole2-Oxo-2,3-dihydro-1H-indole-6-carboxylic acid2-Oxo-indoline-6-carboxylic AcidMFCD014158012-OXINDOLE-6-CARBOXYLIC ACID1H-Indole-6-carboxylic acid, 2,3-dihydro-2-oxo-

이름 더 보기

2-OXO-2,3-DIHYDRO-1H-인돌-6-카르복실산RARECHEM AL BO 09846-Carboxyl-2-oxindoleIntedanib Impurity 306-OXINDOLECARBOXYLIC ACIDOXINDOLE-6-CARBOXYLIC ACID2-Oxyindole-6-carboxylic acid

Nintedanib Impurity 34Intedanib Impurity ANintedanib Impurity 123QL6B6GZ98USCHEMBL3988182-oxoindoline-6-carboxylicacid2-indolinone-6-carboxylic acidorb3181159

데이터베이스 식별자

CAS: 33495-09-9、334952-09-9
PubChem CID: 7213323
DTXSID: DTXSID90428451
UNII: QL6B6GZ98U
EC Number: 857-303-3、884-268-1
Nikkaji: J2.811.574A

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 66.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 251

물리화학적 성질

끓는 점: 438.1 · 438.1±45.0 °C(Predicted)
밀도: 1.433 · 1.433±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 3.94 · 3.94±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

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

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]