CAS 954230-71-8 5-(Pyridin-2-yl)-1,2-oxazole-4-carboxylic acid (HCID 22309070)

기본 정보

CAS: 954230-71-8
표준 SMILES: O=C(O)c1cnoc1-c1ccccn1
InChIKey: HXQQVCGFKYOZBY-UHFFFAOYSA-N
분자식: C9H6N2O3
평균 분자량: 190.16 g/mol

이름 및 식별자

우선 이름: 5-(Pyridin-2-yl)-1,2-oxazole-4-carboxylic acid
IUPAC: 5-pyridin-2-yl-1,2-oxazole-4-carboxylic acid
현지명: 5-피리딘-2-일리속사졸-4-카르복실산
영어명: 5-pyridin-2-ylisoxazole-4-carboxylic acid
분자식: C9H6N2O3
분자량: 190.16

이름 및 동의어

954230-71-85-(pyridin-2-yl)-1,2-oxazole-4-carboxylic acidRefChem:531590993-221-55-pyridin-2-ylisoxazole-4-carboxylic acid5-(pyridin-2-yl)isoxazole-4-carboxylic acid5-pyridin-2-yl-1,2-oxazole-4-carboxylic acidSCHEMBL3543154HXQQVCGFKYOZBY-UHFFFAOYSA-NMFCD09756458AKOS006326721BS-3647

이름 더 보기

5-피리딘-2-일리속사졸-4-카르복실산4-Isoxazolecarboxylic acid, 5-(2-pyridinyl)-

DA-002245-(2-pyridyl)isoxazole-4-carboxylic acid5-(pyridin-2-yl)isoxazole-4-carboxylicacidEN300-1837091F6660-4394

데이터베이스 식별자

CAS: 954230-71-8
PubChem CID: 22309070
EC Number: 993-221-5

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 76.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 222

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, P319, P321, P330, 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.