메틸3-옥소시클로펜탄-1-카르복실레이트

3-Oxo-cyclopentanecarboxylic acid methyl ester

HCID 237640CAS 32811-75-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)C1CCC(=O)C1
InChIKey: KTGCFXSELRVRFH-UHFFFAOYSA-N
분자식: C7H10O3
평균 분자량: 142.15 g/mol
단동위원소 질량: 142.06299418

이름 및 식별자

우선 이름: 3-Oxo-cyclopentanecarboxylic acid methyl ester
IUPAC: methyl 3-oxocyclopentane-1-carboxylate
현지명: 메틸3-옥소시클로펜탄-1-카르복실레이트
영어명: methyl 3-oxocyclopentane-1-carboxylate
분자식: C7H10O3
분자량: 142.15

이름 및 동의어

3-Oxo-cyclopentanecarboxylic acid methyl esterRefChem:504692640-583-4Methyl 3-oxocyclopentanecarboxylate32811-75-9methyl 3-oxocyclopentane-1-carboxylate3-oxocyclopentanecarboxylic acid methyl esterMFCD09832106Cyclopentanecarboxylic acid, 3-oxo-, methyl esterSCHEMBL1139285Methyl 3-Oxocyclopentane carboxylateAKOS006280547

이름 더 보기

메틸3-옥소시클로펜탄-1-카르복실레이트Methyl 3-oxo-cyclopentane...Methyl-3-oxo-cyclopentane carboxylate1-Methyl-3-oxocyclopentane-1-carboxylate3-oxo-1-cyclopentanecarboxylic acid methyl ester3-OXO-CYCLOPENTANECARBOXYLIC ACID METHYL ESTER, 95+%Methyl-3-oxo-cyclopentane carboxylate, 95% (Custom work)Cyclopentanecarboxylic acid, 3-oxo-, methyl ester (6CI, 7CI, 8CI, 9CI, ACI)

CS-W019720PB27535PB31918PS-5100PD0473793-oxo-cyclopentane-1-carboxylic acid methyl esterAMY26568NSC41335

데이터베이스 식별자

CAS: 32811-75-9
PubChem CID: 237640
DTXSID: DTXSID60285311
EC Number: 640-583-4
Nikkaji: J583.068K

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 162

물리화학적 성질

끓는 점: 130 · 130-140℃ (10 Torr)
밀도: 1.157 · 1.157±0.06 g/cm3(Predicted)
굴절률: 1.4565 · 1.4565 (589.3 nm 23℃)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 연노랑
InChI: InChI=1S/C7H10O3/c1-10-7(9)5-2-3-6(8)4-5/h5H,2-4H2,1H3
InChIKey: KTGCFXSELRVRFH-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)CCC(=O)C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.