Methyl 11-hydroxy-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

HCID 2769059

기본 정보

표준 SMILES
COC(=O)c1ccc2c(c1)C(O)c1ccccc1CO2
InChIKey
NLBXYUUHUFAZDL-UHFFFAOYSA-N
분자식
C16H14O4
평균 분자량
270.28 g/mol

이름 및 식별자

우선 이름
Methyl 11-hydroxy-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate
IUPAC
methyl 11-hydroxy-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

이름 및 동의어

79669-90-2methyl 11-hydroxy-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylateMFCD00243425methyl 11-hydroxy-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate11-HYDROXY-6,11-DIHYDRO-DIBENZO[B,E]OXEPINE-2-CARBOXYLIC ACID METHYL ESTERmethyl 2-hydroxy-9-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene-5-carboxylateOprea1_562358SCHEMBL7516230NLBXYUUHUFAZDL-UHFFFAOYSA-NAKOS00508039612K-031Methyl 11-hydroxy-6,11-dihydrodibenz[b,e]oxepin-2-carboxylate
이름 더 보기
methyl 6,11-dihydro-11-hydroxydibenz[b,e]oxepin-2-carboxylatemethyl2-hydroxy-9-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene-5-carboxylate

데이터베이스 식별자

PubChem CID
2769059

물성

구조 계산 물성

XLogP
2.1
극성 표면적
55.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
20

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18건

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