(S)-메틸2-(6-히드록시-2,3-디히드로벤조푸란-3-일)아세테이트

(S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate

HCID 53393313

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1000414-38-9
표준 SMILES: COC(=O)C[C@@H]1COc2cc(O)ccc21
InChIKey: RHMDISFJOKCCAQ-SSDOTTSWSA-N
분자식: C11H12O4
평균 분자량: 208.21 g/mol
단동위원소 질량: 208.07355886

이름 및 식별자

우선 이름: (S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate
IUPAC: methyl 2-[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetate
현지명: (S)-메틸2-(6-히드록시-2,3-디히드로벤조푸란-3-일)아세테이트
영어명: (S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate
분자식: C11H12O4
분자량: 208.21

이름 및 동의어

1000414-38-9(S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetatemethyl 2-[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetateMFCD20488619(S)-(6-Hydroxy-2,3-dihydrobenzofuran-3-yl)acetic Acid Methyl Ester3-Benzofuranacetic acid, 2,3-dihydro-6-hydroxy-, methyl ester, (3S)-methyl [(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetateMethyl 2-[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]acetatemethyl((3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetatemethyl[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetateRHMDISFJOKCCAQ-SSDOTTSWSA-Norb3143642

이름 더 보기

(S)-메틸2-(6-히드록시-2,3-디히드로벤조푸란-3-일)아세테이트Methyl (S)-6-Hydroxy-2,3-dihydrobenzofuran-3-acetateMethyl (3S)-2,3-dihydro-6-hydroxy-3-benzofuranacetate(S)-Methyl 6-Hydroxy-2,3-dihydrobenzofuran-3-ylacetateS)-Methyl 2-(hydroxy-2,3-dihydrobenzofuran-3-yl)acetate(S)-Methyl 6-Hydroxy-2,3-dihydrobenzofuran-3-ylacetate,99%e.e.(3S)-2,3-Dihydro-6-hydroxy-3-benzofuranacetic acid methyl ester

SCHEMBL9275740DTXSID00693855methyl (S)-2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetateCS-M1217TYD-02980AKOS015904374AS-39248SY021378

데이터베이스 식별자

CAS: 1000414-38-9
PubChem CID: 53393313
DTXSID: DTXSID00693855
Nikkaji: J2.943.275I

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 241

물리화학적 성질

끓는 점: 326.5 · 326.5±42.0 °C(Predicted)
밀도: 1.257 · 1.257±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 9.77 · 9.77±0.40(Predicted)
InChI: InChI=1S/C11H12O4/c1-14-11(13)4-7-6-15-10-5-8(12)2-3-9(7)10/h2-3,5,7,12H,4,6H2,1H3/t7-/m1/s1
InChIKey: RHMDISFJOKCCAQ-SSDOTTSWSA-N
SMILES: O1C2=CC(O)=CC=C2[C@H](CC(OC)=O)C1