Ethyl 2-cyano-2-(hydroxyimino)acetate

HCID 6399078CAS 3849-21-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)C(C#N)=NO
InChIKey: LCFXLZAXGXOXAP-UHFFFAOYSA-N
분자식: C5H6N2O3
평균 분자량: 142.11 g/mol
단동위원소 질량: 142.03784205

개요

structure in first source

이름 및 식별자

우선 이름: Ethyl 2-cyano-2-(hydroxyimino)acetate
IUPAC: ethyl 2-cyano-2-hydroxyiminoacetate

이름 및 동의어

3849-21-6Ethyl 2-cyano-2-(hydroxyimino)acetateDTXSID40959361RefChem:594310DTXCID001387241Ethyl cyanoglyoxylate-2-oximeethyl 2-cyano-2-hydroxyiminoacetateethyl (2E)-cyano(hydroxyimino)acetateOxyma Pure®ethyl 2-cyano-2-hydroxyimino-acetateETHYL(HYDROXYIMINO)CYANOACETATEOXYMA PURE

이름 더 보기

ethyl hydroxyiminocyanoacetateethyl alpha-oximinocyanoacetateSCHEMBL498412ethyl 2-hydroxyiminocyanoacetateSCHEMBL1666567ethyl 2-cyanoglyoxylate-2-oximeethyl 2-hydroxyimino-cyanoacetateOXY-1050-PI

데이터베이스 식별자

CAS: 3849-21-6
PubChem CID: 6399078
DTXSID: DTXSID40959361
EC Number: 223-351-3

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 82.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 200

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 7.1% (2 of 28) of reports.

Warning

H302 (85.7%): 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 28 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.