비시클로[2.2.2]옥트-5-엔-2,3-디카르복실산무수물

Bicyclo(2.2.2)oct-5-ene-2,3-dicarboxylic Anhydride

HCID 220977

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 24327-08-0
표준 SMILES: O=C1OC(=O)C2C3C=CC(CC3)C12
InChIKey: YIHKILSPWGDWPR-UHFFFAOYSA-N
분자식: C10H10O3
평균 분자량: 178.18 g/mol
단동위원소 질량: 178.06299418

개요

See other relationships...

이름 및 식별자

우선 이름: Bicyclo(2.2.2)oct-5-ene-2,3-dicarboxylic Anhydride
IUPAC: 4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
현지명: 비시클로[2.2.2]옥트-5-엔-2,3-디카르복실산무수물
영어명: bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride
분자식: C10H10O3
분자량: 178.18

이름 및 동의어

Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydridebicyclo(2.2.2)oct-5-ene-2,3-dicarboxylic anhydrideRefChem:568169678-216-56708-37-83a,4,7,7a-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione24327-08-0MFCD067963614-Oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione4,7-Ethanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-4,7-Ethanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-4-oxatricyclo[5.2.2.0,2,6]undec-8-ene-3,5-dione

이름 더 보기

비시클로[2.2.2]옥트-5-엔-2,3-디카르복실산무수물4-oxatricyclo[5.2.2.02?]undec-8-ene-3,5-dioneBicylo[2,2,2]oct-5-ene-2,3-dicarboxylic anhydrideBicyclo[2.2.2]OCL-5-Ene-2,3-Dicarboxylic AnhydrideBicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic Anhydride >6-Endoethylene-4-cyclohexene-1,2-dicarboxylic anhydride4,7-Ethenoisobenzofuran-1,3-dione, 3a,4,5,6,7,7a-hexahydro-endo-bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid anhydride

cis-Bicyclo[2.2.2]oct-5-en-2,3-dicarboxylic acid, anhydrideendo-Bicyclo[2.2.2]octenedicarboxcyclic acid anhydride4-oxatricyclo[5.2.2.0<2,6>]undec-8-ene-3,5-dioneBicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride, cis-endo-NSC238003Bicyclo[2.2.2]oct-5-ene-2, endo-Bicyclo[2.2.2]oct-5-ene-2, cis-endo-SCHEMBL351863

데이터베이스 식별자

CAS: 24327-08-0、6708-37-8
PubChem CID: 220977
DTXSID: DTXSID801380201
EC Number: 678-216-5
Nikkaji: J1.663.049G

물성

구조 계산 물성

XLogP: 1.2
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: 288

물리화학적 성질

녹는점: 148 °C · 148 °C
끓는 점: 340.9 · 340.9±42.0 °C(Predicted)
밀도: 1.324 · 1.324
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 아세톤에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C10H10O3/c11-9-7-5-1-2-6(4-3-5)8(7)10(12)13-9/h1-2,5-8H,3-4H2
InChIKey: YIHKILSPWGDWPR-UHFFFAOYSA-N
SMILES: C1(=O)C2C(C3CCC2C=C3)C(=O)O1