2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester

HCID 538822

기본 정보

표준 SMILES
CCOC(=O)C1=NOC(c2ccccc2)C1
InChIKey
YNZGZAJXHXGDBF-UHFFFAOYSA-N
분자식
C12H13NO3
평균 분자량
219.24 g/mol

이름 및 식별자

우선 이름
2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester
IUPAC
ethyl 5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylate

이름 및 동의어

ethyl 5-phenyl-4,5-dihydroisoxazole-3-carboxylate2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl esterSCHEMBL3413883-ethoxycarbonyl-5-phenyl-4,5-dihydroisoxazoleEthyl 5-phenyl-4,5-dihydro-3-isoxazolecarboxylateethyl 5-phenyl-4,5-dihydroisoxazol-3-ylcarboxylateEthyl 5-phenyl-4,5-dihydro-3-isoxazolecarboxylate #5-phenyl-4,5-dihydro-isoxazole-3-carboxylic acid ethyl ester3-Isoxazolecarboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester

데이터베이스 식별자

PubChem CID
538822
Nikkaji
J113.293H

물성

구조 계산 물성

XLogP
2
극성 표면적
47.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
16

관련 반응

9건

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