1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione

HCID 94834CAS 595-30-2

기본 정보

표준 SMILES: CC12CCC(C(=O)OC1=O)C2(C)C
InChIKey: VFZDNKRDYPTSTP-UHFFFAOYSA-N
분자식: C10H14O3
평균 분자량: 182.22 g/mol
단동위원소 질량: 182.09429431

이름 및 식별자

우선 이름: 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione
IUPAC: 1,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione

이름 및 동의어

1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione76-32-4DTXSID908717811,8,8-Trimethyl-3-oxabicyclo(3.2.1)octane-2,4-dioneRefChem:196860DTXCID90819406d-Camphoric anhydride(+/-)-Camphoric acid anhydride3-Oxabicyclo[3.2.1]octane-2,4-dione, 1,8,8-trimethyl-NSC4559NSC60293NSC657821

이름 더 보기

(1R)-Camphoric anhydride(+/-)-camphoric anhydrideNSC-4559(1S)-1,8,8-TRIMETHYL-3-OXABICYCLO[3.2.1]OCTANE-2,4-DIONENSC-60293NSC-657821(-) camphoric anhydride1, 1,2,2-trimethyl-

데이터베이스 식별자

CAS: 595-30-2、595-31-3、76-32-4
PubChem CID: 94834
DTXSID: DTXSID90871781
ChEMBL: CHEMBL1978242
EC Number: 200-952-9、209-862-4
Nikkaji: J4.173D

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 293

안전 및 규제

GHS 분류

GHS Classification · 6건

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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

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