1-메틸-1H-인돌-6-카르복실산97

1-Methyl-1H-indole-6-carboxylic acid

HCID 19819261

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 202745-73-1
표준 SMILES: Cn1ccc2ccc(C(=O)O)cc21
InChIKey: DJQOGNYSBOIJKE-UHFFFAOYSA-N
분자식: C10H9NO2
평균 분자량: 175.18 g/mol
단동위원소 질량: 175.06332853

이름 및 식별자

우선 이름: 1-Methyl-1H-indole-6-carboxylic acid
IUPAC: 1-methylindole-6-carboxylic acid
현지명: 1-메틸-1H-인돌-6-카르복실산97
영어명: 1-Methyl-1H-indole-6-carboxylic acid 97
분자식: C10H9NO2
분자량: 175.18

이름 및 동의어

1-methyl-1H-indole-6-carboxylic acid202745-73-1DTXSID40600301RefChem:231515DTXCID70551059640-743-31-methylindole-6-carboxylic acid1H-Indole-6-carboxylic acid, 1-methyl-MFCD086902501-Methyl-6-indolecarboxylic AcidF2191-00071-methyl-1H-indole-6-carboxylicacid

이름 더 보기

1-메틸-1H-인돌-6-카르복실산97CC 442016-Carboxy-1-methyl-1H-indole1-Methyl-1H-indol-6-carboxylic acid1-Methyl-1H-indole-6-carboxylic acid 971-Methyl-1H-indole-6-carboxylic acid 97%1-methyl-1H-indole-6-carboxylic acid(SALTDATA: FREE)

1-Methyl-IH-indole-6-carboxylic acidAKOS005174480AB92307CS-01352751-methyl-1H-indole-6-carboxylic acid, AldrichCPRAM807238A1AXE1H-Indole-6-carboxylic

데이터베이스 식별자

CAS: 202745-73-1
PubChem CID: 19819261
DTXSID: DTXSID40600301
EC Number: 640-743-3

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 42.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 217

물리화학적 성질

녹는점: 197 °C · 197 °C
끓는 점: 389 · 389.0±15.0 °C(Predicted)
밀도: 1.24 · 1.24±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 4.53 · 4.53±0.30(Predicted)
색상: 옅은 노랑
InChI: 1S/C10H9NO2/c1-11-5-4-7-2-3-8(10(12)13)6-9(7)11/h2-6H,1H3,(H,12,13)
InChIKey: DJQOGNYSBOIJKE-UHFFFAOYSA-N
SMILES: Cn1ccc2ccc(cc12)C(O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.