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
- 형식 전하
- 0
- 복잡도
- 282
관련 반응
9건
연결된 노트
불러오는 중…