Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate

HCID 566079CAS 66692-75-9

기본 정보

표준 SMILES: CCOC(=O)C1C(C=O)C1(C)C
InChIKey: ZFZXRNVTYVRULM-UHFFFAOYSA-N
분자식: C9H14O3
평균 분자량: 170.21 g/mol
단동위원소 질량: 170.09429431

이름 및 식별자

우선 이름: Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate
IUPAC: ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate

이름 및 동의어

ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylateRefChem:594958895-517-966692-75-9Ethyl 3-formyl-2,2-dimethylcyclopropanecarboxylatecaronaldehydeMFCD11500113SCHEMBL358792DTXSID70340607Cyclopropanecarboxylic acid, 3-formyl-2,2-dimethyl-, ethyl esterRCA69275AKOS006324572

이름 더 보기

DB-171230EN300-131568ethyl 2,2-dimethyl-3-formylcyclopropanecarboxylateethyl 2-formyl-3,3-dimethylcyclopropanecarboxylateEthyl 3-formyl-2,2-dimethylcyclopropanecarboxylate #ethyl3-formyl-2,2-dimethylcyclopropane-1-carboxylateZ11983214162,2-dimethyl-3-formyl-cyclopropanecarboxylic acid ethyl ester

데이터베이스 식별자

CAS: 66692-75-9
PubChem CID: 566079
DTXSID: DTXSID70340607
EC Number: 895-517-9

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 208

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.