3-OXO-CYCLOHEXANECARBOXYLICACIDMETHYL에스테르

Methyl 3-oxocyclohexane-1-carboxylate

HCID 566099CAS 13148-83-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)C1CCCC(=O)C1
InChIKey: MAEFSJWFUPHVPY-UHFFFAOYSA-N
분자식: C8H12O3
평균 분자량: 156.18 g/mol
단동위원소 질량: 156.07864424

이름 및 식별자

우선 이름: Methyl 3-oxocyclohexane-1-carboxylate
IUPAC: methyl 3-oxocyclohexane-1-carboxylate
현지명: 3-OXO-CYCLOHEXANECARBOXYLICACIDMETHYL에스테르
영어명: 3-OXO-CYCLOHEXANECARBOXYLIC ACID METHYL ESTER
분자식: C8H12O3
분자량: 156.18

이름 및 동의어

methyl 3-oxocyclohexane-1-carboxylateRefChem:815627829-380-3Methyl 3-oxocyclohexanecarboxylate13148-83-93-OXO-CYCLOHEXANECARBOXYLIC ACID METHYL ESTERCyclohexanecarboxylic acid, 3-oxo-, methyl esterMFCD090319963-oxo-1-cyclohexanecarboxylic acid methyl esterCyclohexanecarboxylicacid, 3-oxo-, methyl esterSCHEMBL1700624Methyl3-oxocyclohexanecarboxylate

이름 더 보기

3-OXO-CYCLOHEXANECARBOXYLICACIDMETHYL에스테르3-oxocyclohexane-1-carboxylic acid methyl ester

DTXSID80340613NAA14883Methyl 3-oxocyclohexanecarboxylate #AKOS006291098PB40019PB41896AS-55145SY041265

데이터베이스 식별자

CAS: 13148-83-9
PubChem CID: 566099
DTXSID: DTXSID80340613
EC Number: 829-380-3
Nikkaji: J1.617.114J

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 174

물리화학적 성질

끓는 점: 121 · 121-123 °C(Press: 16 Torr)
밀도: 1.111 · 1.111±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature

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, P319, P321, P330, 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.