2-(6-HYDROXY-1-BENZOFURAN-3-YL)아세트산,97

2-(6-Hydroxy-1-benzofuran-3-yl)acetic acid

HCID 2110915

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 69716-04-7
표준 SMILES: O=C(O)Cc1coc2cc(O)ccc12
InChIKey: ZEMXZWJZCWCPBM-UHFFFAOYSA-N
분자식: C10H8O4
평균 분자량: 192.17 g/mol
단동위원소 질량: 192.04225874

이름 및 식별자

우선 이름: 2-(6-Hydroxy-1-benzofuran-3-yl)acetic acid
IUPAC: 2-(6-hydroxy-1-benzofuran-3-yl)acetic acid
현지명: 2-(6-HYDROXY-1-BENZOFURAN-3-YL)아세트산,97
영어명: 2-(6-HYDROXY-1-BENZOFURAN-3-YL) ACETIC ACID
분자식: C10H8O4
분자량: 192.17

이름 및 동의어

2-(6-hydroxy-1-benzofuran-3-yl)acetic acidRefChem:459223820-529-869716-04-72-(6-hydroxybenzofuran-3-yl)acetic Acid(6-hydroxy-1-benzofuran-3-yl)acetic acidMFCD052736352-(6-HYDROXY-1-BENZOFURAN-3-YL) ACETIC ACID2-(6-HYDROXY-1-BENZOFURAN-3-YL) ACETIC ACID, 97SCHEMBL2058252-(6-HYDROXY-1-BENZOFURAN-3-YL)ACETICACIDDTXSID20366559

이름 더 보기

2-(6-HYDROXY-1-BENZOFURAN-3-YL)아세트산,976-Hydroxy-3-benzofuranacetic acid3-Benzofuranacetic acid, 6-hydroxy-(6-Hydroxybenzofuran-3-yl)acetic acid2-(6-HYDROXY-1-BENZOFURAN-3-YL) ACETIC ACID, 97-3

ZEMXZWJZCWCPBM-UHFFFAOYSA-NHMS1755J21CS-M1212CS-M1953AKOS000103521SB176582-(6-hydroxybenzofuran-3-yl)aceticAcid(6-hydroxy-benzofuran-3-yl)-acetic acid

데이터베이스 식별자

CAS: 69716-04-7
PubChem CID: 2110915
DTXSID: DTXSID20366559
EC Number: 820-529-8
Nikkaji: J641.329C

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 70.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 228

물리화학적 성질

녹는점: 139 · 139-140℃
끓는 점: 251.5 · 251.5±9.0℃ (760 Torr)
밀도: 1.453 · 1.453±0.06 g/cm3 (20 ºC 760 Torr)
인화점: 105.9 · 105.9±18.7℃
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4.12 · 4.12±0.30(Predicted)
InChI: InChI=1S/C10H8O4/c11-7-1-2-8-6(3-10(12)13)5-14-9(8)4-7/h1-2,4-5,11H,3H2,(H,12,13)
InChIKey: ZEMXZWJZCWCPBM-UHFFFAOYSA-N
SMILES: O1C2=CC(O)=CC=C2C(CC(O)=O)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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, P305+P354+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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2932990090

화학 및 산업

응용 분야 · 1건

용도(6-Hydroxy-1-benzofuran-3-yl)acetic Acid is a reactant in the synthesis of dihydrobenzofuran (6-{[4''-(2-ethoxyethoxy)-2'',6''-dimethylbiphenyl-3-yl]methoxy}-2,3-dihydro-1-benzofuran-3-yl)acetic acid as a potent and orally available GPR40/FFA1 agonist.