3-옥소-시클로부탄카르복실산2,5-디옥소-피롤리딘-1-일에스테르

2,5-Dioxopyrrolidin-1-yl 3-oxocyclobutanecarboxylate

HCID 59133049

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 939412-81-4
표준 SMILES: O=C1CC(C(=O)ON2C(=O)CCC2=O)C1
InChIKey: YSSHHKYKCKPLCN-UHFFFAOYSA-N
분자식: C9H9NO5
평균 분자량: 211.17 g/mol
단동위원소 질량: 211.04807239

이름 및 식별자

우선 이름: 2,5-Dioxopyrrolidin-1-yl 3-oxocyclobutanecarboxylate
IUPAC: (2,5-dioxopyrrolidin-1-yl) 3-oxocyclobutane-1-carboxylate
현지명: 3-옥소-시클로부탄카르복실산2,5-디옥소-피롤리딘-1-일에스테르
영어명: 3-Oxo-cyclobutanecarboxylic acid 2,5-dioxo-pyrrolidin-1-yl ester
분자식: C9H9NO5
분자량: 211.17146

이름 및 동의어

939412-81-42,5-Dioxopyrrolidin-1-yl 3-oxocyclobutanecarboxylate3-oxo-cyclobutanecarboxylic acid 2,5-dioxo-pyrrolidin-1-yl ester2,5-dioxopyrrolidin-1-yl 3-oxocyclobutane-1-carboxylate(2,5-dioxopyrrolidin-1-yl) 3-oxocyclobutane-1-carboxylateSCHEMBL593371YSSHHKYKCKPLCN-UHFFFAOYSA-NDB-183636F306562,5-Dioxopyrrolidin-1-yl3-oxocyclobutanecarboxylateA1-065271-{[(3-Oxocyclobutyl)carbonyl]oxy}pyrrolidine-2,5-dione

이름 더 보기

3-옥소-시클로부탄카르복실산2,5-디옥소-피롤리딘-1-일에스테르3-Oxo-cyclobutanecarboxylic acid 2,5-dioxo-pyrrolidin-1-yl esteCyclobutanecarboxylic acid, 3-oxo-, 2,5-dioxo-1-pyrrolidinyl ester

3-oxo-cyclobutanecarboxylic acid 2,5-dioxopyrrolidin-1-yl ester

데이터베이스 식별자

CAS: 939412-81-4
PubChem CID: 59133049
EC Number: 686-916-7

물성

구조 계산 물성

XLogP: -1.3
극성 표면적: 80.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 338

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.