4-이속사졸카르복실산,5-시클로프로필-3-페닐-

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

HCID 22309080

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 943130-42-5
표준 SMILES: O=C(O)c1c(-c2ccccc2)noc1C1CC1
InChIKey: AYTSCQOWGJBLDX-UHFFFAOYSA-N
분자식: C13H11NO3
평균 분자량: 229.23 g/mol
단동위원소 질량: 229.07389321

이름 및 식별자

우선 이름: 5-Cyclopropyl-3-phenyl-1,2-oxazole-4-carboxylic acid
IUPAC: 5-cyclopropyl-3-phenyl-1,2-oxazole-4-carboxylic acid
현지명: 4-이속사졸카르복실산,5-시클로프로필-3-페닐-
영어명: 4-Isoxazolecarboxylic acid, 5-cyclopropyl-3-phenyl-
분자식: C13H11NO3
분자량: 229.23

이름 및 동의어

943130-42-55-cyclopropyl-3-phenyl-1,2-oxazole-4-carboxylic acidRefChem:535215877-546-95-cyclopropyl-3-phenylisoxazole-4-carboxylic acid5-Cyclopropyl-3-phenyl-isoxazole-4-carboxylic acidSCHEMBL1930966AYTSCQOWGJBLDX-UHFFFAOYSA-NTMB13042AKOS026706401CS-0243555EN300-265460

이름 더 보기

4-이속사졸카르복실산,5-시클로프로필-3-페닐-4-Isoxazolecarboxylic acid, 5-cyclopropyl-3-phenyl-

5-cyclopropyl-3-phenyl-1,2-oxazole-4-carboxylicacidF1907-0533

데이터베이스 식별자

CAS: 943130-42-5
PubChem CID: 22309080
EC Number: 877-546-9

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 297

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, 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.