Ethyl 4-oxo-1,4-dihydrocinnoline-3-carboxylate

HCID 23320177

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 219568-43-1
표준 SMILES: CCOC(=O)c1n[nH]c2ccccc2c1=O
InChIKey: GKZADQFFKFUDKN-UHFFFAOYSA-N
분자식: C11H10N2O3
평균 분자량: 218.21 g/mol
단동위원소 질량: 218.06914219

이름 및 식별자

우선 이름: Ethyl 4-oxo-1,4-dihydrocinnoline-3-carboxylate
IUPAC: ethyl 4-oxo-1H-cinnoline-3-carboxylate

이름 및 동의어

ethyl 4-oxo-1,4-dihydrocinnoline-3-carboxylate219568-43-1RefChem:595484824-516-8Ethyl 4-hydroxycinnoline-3-carboxylate37967-71-8ethyl 4-oxo-1H-cinnoline-3-carboxylateSCHEMBL3716680SCHEMBL10861354GKZADQFFKFUDKN-UHFFFAOYSA-NUIA56843AKOS013101591

이름 더 보기

AKOS040713363CS-0259848EN300-74283ethyl4-oxo-1,4-dihydrocinnoline-3-carboxylateG20959Z11670445094-oxo-1,4-dihydrocinnoline-3-carboxylic acid ethyl ester

데이터베이스 식별자

CAS: 219568-43-1
PubChem CID: 23320177
EC Number: 824-516-8

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 67.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 338

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.