2-히드록시-5-(1H피롤-1-일)벤조산

2-Hydroxy-5-(1H-pyrrol-1-yl)benzoic acid

HCID 853752CAS 53242-70-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1cc(-n2cccc2)ccc1O
InChIKey: RJOWHWZRBQBAMZ-UHFFFAOYSA-N
분자식: C11H9NO3
평균 분자량: 203.19 g/mol
단동위원소 질량: 203.05824315

이름 및 식별자

우선 이름: 2-Hydroxy-5-(1H-pyrrol-1-yl)benzoic acid
IUPAC: 2-hydroxy-5-pyrrol-1-ylbenzoic acid
현지명: 2-히드록시-5-(1H피롤-1-일)벤조산
영어명: 2-HYDROXY-5-(1 H-PYRROL-1-YL)BENZOIC ACID
분자식: C11H9NO3
분자량: 203.19

이름 및 동의어

53242-70-92-Hydroxy-5-(1H-pyrrol-1-yl)benzoic acidDTXSID20357487RefChem:473238DTXCID30308546622-309-52-Hydroxy-5-(1 H-pyrrol-1-yl)benzoic acid2-hydroxy-5-pyrrol-1-ylbenzoic acid2-HYDROXY-5-(1H-PYRROL-1-YL)-BENZOIC ACIDMFCD013212282-hydroxy-5-pyrrol-1-yl-benzoic Acid2-hydroxy-5-(1-pyrrolyl)benzoic acid

이름 더 보기

2-히드록시-5-(1H피롤-1-일)벤조산2-HYDROXY-5-(1H-PYRROL-1-YL)벤조산

2-hydroxy-5-(pyrrol-1-yl)benzoic acidBenzoic acid, 2-hydroxy-5-(1H-pyrrol-1-yl)-SCHEMBL1304915-(1-pyrryl) salicylic acidCHEMBL4073702-hydroxy-5-pyrrolylbenzoic acidRJOWHWZRBQBAMZ-UHFFFAOYSA-NGEO-01559

데이터베이스 식별자

CAS: 53242-70-9
PubChem CID: 853752
DTXSID: DTXSID20357487
ChEMBL: CHEMBL407370
EC Number: 622-309-5

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 62.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 238

물리화학적 성질

녹는점: 220 °C · 220 °C (dec.)(lit.)
저장 조건: 2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.