Ethyl 2,2-dimethyl-5-oxocyclopentane-1-carboxylate

HCID 67339971CAS 1001180-78-4

기본 정보

표준 SMILES: CCOC(=O)C1C(=O)CCC1(C)C
InChIKey: CDOYMQTVAXPCPY-UHFFFAOYSA-N
분자식: C10H16O3
평균 분자량: 184.23 g/mol

이름 및 식별자

우선 이름: Ethyl 2,2-dimethyl-5-oxocyclopentane-1-carboxylate
IUPAC: ethyl 2,2-dimethyl-5-oxocyclopentane-1-carboxylate

이름 및 동의어

ethyl 2,2-dimethyl-5-oxocyclopentane-1-carboxylate1001180-78-4RefChem:593433868-348-3ethyl 2,2-dimethyl-5-oxocyclopentanecarboxylateethyl2,2-dimethyl-5-oxocyclopentane-1-carboxylateSCHEMBL2264463CDOYMQTVAXPCPY-UHFFFAOYSA-NBQB18078EN300-112385

데이터베이스 식별자

CAS: 1001180-78-4
PubChem CID: 67339971
EC Number: 868-348-3
Nikkaji: J2.230.918H

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 230

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.