1-(1,3-BENZODIOXOL-5-YL)사이클로프로판카복실산

1-(1,3-Dioxaindan-5-yl)cyclopropane-1-carboxylic acid

HCID 14349608

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 862574-89-8
표준 SMILES: O=C(O)C1(c2ccc3c(c2)OCO3)CC1
InChIKey: NZZVDTIYQUASAT-UHFFFAOYSA-N
분자식: C11H10O4
평균 분자량: 206.19 g/mol
단동위원소 질량: 206.0579088

이름 및 식별자

우선 이름: 1-(1,3-Dioxaindan-5-yl)cyclopropane-1-carboxylic acid
IUPAC: 1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
현지명: 1-(1,3-BENZODIOXOL-5-YL)사이클로프로판카복실산
영어명: 1-(1,3-Benzodioxol-5-yl)cyclopropanecarboxylic acid
분자식: C11H10O4
분자량: 206.19

이름 및 동의어

1-(1,3-dioxaindan-5-yl)cyclopropane-1-carboxylic acidRefChem:419378807-215-6862574-89-81-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxylic acid1-(1,3-BENZODIOXOL-5-YL)CYCLOPROPANECARBOXYLIC ACIDMFCD099079221-Benzo[1,3]dioxol-5-yl-cyclopropanecarboxylic acid1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid1-(1,3-Benzodioxol-5-yl)cyclopropane-carboxylic acid1-(BENZODIOXOL-5-YL)CYCLOPROPANECARBOXYLIC ACID1-(2H-1,3-BENZODIOXOL-5-YL)CYCLOPROPANE-1-CARBOXYLIC ACID

이름 더 보기

1-(1,3-BENZODIOXOL-5-YL)사이클로프로판카복실산UKRORGSYN-BB BBV-2233281-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxylic acid - [B93689]

1-(BENZO[D][1,3]DIOXOL-6-YL)CYCLOPROPANECARBOXYLIC ACID1-(benzo[d)[1,3]dioxol-6-yl)cyclopropanecarboxylic acid1-BENZO(1,3)DIOXOL-5-YL-CYCLOPROPANECARBOXYLIC ACIDSCHEMBL699497Cyclopropanecarboxylic acid, 1-(1,3-benzodioxol-5-yl)-DTXSID90559254NZZVDTIYQUASAT-UHFFFAOYSA-N1-(benzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxylic acid

데이터베이스 식별자

CAS: 862574-89-8
PubChem CID: 14349608
DTXSID: DTXSID90559254
EC Number: 807-215-6

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 284

물리화학적 성질

저장 조건: 2 · 2-8°C

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, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.