2-Methyl-5-phenyl-1,3-oxazole-4-carboxylic acid

HCID 15630344

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 91137-53-0
표준 SMILES: Cc1nc(C(=O)O)c(-c2ccccc2)o1
InChIKey: GEAPKHXZFUKEDK-UHFFFAOYSA-N
분자식: C11H9NO3
평균 분자량: 203.19 g/mol

이름 및 식별자

우선 이름: 2-Methyl-5-phenyl-1,3-oxazole-4-carboxylic acid
IUPAC: 2-methyl-5-phenyl-1,3-oxazole-4-carboxylic acid

이름 및 동의어

91137-53-02-methyl-5-phenyl-1,3-oxazole-4-carboxylic acidRefChem:475736850-376-22-methyl-5-phenyloxazole-4-carboxylic acid2-methyl-5-phenyl-4-oxazolecarboxylic acidSCHEMBL1167223GEAPKHXZFUKEDK-UHFFFAOYSA-NRDA13753MFCD16989034AKOS023093675SY156465

이름 더 보기

2-methyl-5-phenyloxazole-4-carboxylicacidDB-3385972-methyl-5-phenyl-oxazole-4-carboxylic acid5-phenyl-2-methyl-oxazole-4-carboxylic acidEN300-135569G60076Z1508919992

데이터베이스 식별자

CAS: 91137-53-0
PubChem CID: 15630344
EC Number: 850-376-2

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 238

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.