2-Cyclopentene-1-acetic acid

HCID 96216CAS 13668-61-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)CC1C=CCC1
InChIKey: NNRZTJAACCRFRV-UHFFFAOYSA-N
분자식: C7H10O2
평균 분자량: 126.15 g/mol
단동위원소 질량: 126.06807956

개요

2-(2-cyclopentenyl)-ethanoic acid is a carboxylic acid.

이름 및 식별자

우선 이름: 2-Cyclopentene-1-acetic acid
IUPAC: 2-cyclopent-2-en-1-ylacetic acid
영어명: 2-CYCLOPENTENE-1-ACETIC ACID
분자식: C7H10O2
분자량: 126.15

이름 및 동의어

2-Cyclopentene-1-acetic acid13668-61-6Cyclopent-2-enylacetic acidEINECS 237-146-1NSC 60126RefChem:259972237-146-12-(cyclopent-2-en-1-yl)acetic acid2-cyclopent-2-en-1-ylacetic acidMFCD00001400Cyclopentene-3-acetic acid2-Cyclopenten-1-ylacetic acid

이름 더 보기

2-cyclopentene-1-acetic2-Cyclopenteneacetic acid.Cyclopentene-3-ylacetic acid(2-Cyclopentenyl)acetic acid2-(2-Cyclopentenyl)acetic acid2-Cyclopentene-1-acetic acid,98%

SCHEMBL4590302-cyclopent-2-enylacetic acid2-Cyclopentene-1-ethylic acidcyclopent-2-ene-1-acetic acidSCHEMBL7041753DTXSID00864427CHEBI:176857(Cyclopent-2-en-1-yl)acetic acid

데이터베이스 식별자

CAS: 13668-61-6
PubChem CID: 96216
DTXSID: DTXSID00864427
ChEBI: CHEBI:176857
EC Number: 237-146-1
Nikkaji: J22.889C

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 138

물리화학적 성질

녹는점: 19 °C · 19 °C(lit.)
끓는 점: 93 · 93-94 °C2.5 mm Hg(lit.)
밀도: 1.047 g/mL · 1.047 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.468(lit.)
인화점: 230 °F · >230 °F
저장 조건: Store at room temperature
산도 계수 (pKa): 4.61 · 4.61±0.10(Predicted)
물리적 상태: liquid
BRN: 2042172 · 2042172
안정성: 안정적인. 염기, 산화제, 환원제와 호환되지 않습니다.
InChI: 1S/C7H10O2/c8-7(9)5-6-3-1-2-4-6/h1,3,6H,2,4-5H2,(H,8,9)
InChIKey: NNRZTJAACCRFRV-UHFFFAOYSA-N
SMILES: OC(=O)CC1CCC=C1

화학적 성질

colourless liquid with an unpleasant smell

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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.