4-OXO-4,5,6,7-TETRAHYDROBENZO[B]FURAN-3-카르복실산

4-Oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid

HCID 713937CAS 56671-28-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1coc2c1C(=O)CCC2
InChIKey: FABBWECRHZNMDQ-UHFFFAOYSA-N
분자식: C9H8O4
평균 분자량: 180.16 g/mol
단동위원소 질량: 180.04225874

개요

4-oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid is a member of benzofurans.

이름 및 식별자

우선 이름: 4-Oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
IUPAC: 4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid
현지명: 4-OXO-4,5,6,7-TETRAHYDROBENZO[B]FURAN-3-카르복실산
영어명: 4-OXO-4,5,6,7-TETRAHYDROBENZO[B]FURAN-3-CARBOXYLIC ACID
분자식: C9H8O4
분자량: 180.16

이름 및 동의어

4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acidDTXSID80351926RefChem:1071354DTXCID2030299256671-28-44-oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylic acid4-Oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acidMFCD000521704-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acidMaybridge1_0077454-oxo-5,6,7-trihydrobenzo[1,2-b]furan-3-carboxylic acidOprea1_302148

이름 더 보기

4-OXO-4,5,6,7-TETRAHYDROBENZO[B]FURAN-3-카르복실산AKOS BBS-00000134BUTTPARK 29\08-32IFLAB-BB F1901-00744 5 6 7-TETRAHYDRO-4-OXOBENZOFURAN-3- &4,5,6,7-Tetrahydro-4-oxobenzofuran-3-caroxylic acid4,5,6,7-tetrahydro-4-oxo-3-benzofurancarboxylicacid4-OXO-4,5,6,7-TETRAHYDROCOUMARONE-3-CARBOXYLIC ACID4,5,6,7-Tetrahydro-4-oxobenzofuran-3-carboxylic acid

SCHEMBL7606524-oxo-6,7-dihydro-5H-benzofuran-3-carboxylic acid4-Oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylicacidorb3029233HMS563I01PDK0422CHEBI:183334FABBWECRHZNMDQ-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 56671-28-4
PubChem CID: 713937
DTXSID: DTXSID80351926
ChEBI: CHEBI:183334
EC Number: 637-192-6
Nikkaji: J28.173E

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 67.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 248

물리화학적 성질

녹는점: 140 °C · 140 °C
끓는 점: 383.5 · 383.5±42.0 °C(Predicted)
밀도: 1.406 · 1.406±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 3.74 · 3.74±0.20(Predicted)

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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.