기본 정보
- CAS
23866-72-0- 표준 SMILES
CCOC(=O)c1cc(=O)c2ccc(O)cc2o1- InChIKey
RKIMFICEWCXBCE-UHFFFAOYSA-N- 분자식
- C12H10O5
- 평균 분자량
- 234.2 g/mol
- 단동위원소 질량
- 234.05282342
이름 및 식별자
- 우선 이름
- ethyl 7-hydroxy-4-oxo-4H-chromen-2-carboxylate
- IUPAC
- ethyl 7-hydroxy-4-oxochromene-2-carboxylate
- 영어명
- ETHYL 7-HYDROXY-4-OXO-4H-CHROMENE-2-CARBOXYLATE
- 분자식
- C12H10O5
- 분자량
- 234.2
이름 및 동의어
23866-72-0Ethyl 7-hydroxy-4-oxo-4H-chromen-2-carboxylateDTXSID70178568RefChem:138852DTXCID301010597-hydroxy-4-oxo-4H-chromen-2--carboxylic acid ethyl esterEthyl 7-hydroxy-4-oxo-4H-chromene-2-carboxylateethyl 7-hydroxy-4-oxochromene-2-carboxylateMFCD00100382ethyl 7-hydroxy-4-oxo-4H-1-benzopyran-2-carboxylateCHEMBL827492-ethoxycarbonyl-7-hydroxychromone
이름 더 보기
ethyl7-hydroxy-4-oxochromene-2-carboxylateEthyl7-hydroxy-4-oxo-4H-chromene-2-carboxylate97%Ethyl 7-hydroxy-4-oxo-4H-chromene-2-carboxylate 97%Ethyl7-hydroxy-4-oxo-4H-1-benzopyran-2-carboxylate97%Ethyl 7-hydroxy-4-oxo-4H-1-benzopyran-2-carboxylate 97%7-Hydroxy-4-oxo-4H-1-benzopyran-2-carboxylic acid ethyl ester
4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-4-oxo-, ethyl ester7-Hydroxy-4-oxo-4H-chromene-2-carboxylic acid ethyl esterMaybridge1_0020824H-1-Benzopyran-2-carboxylicacid, 7-hydroxy-4-oxo-, ethyl esterOprea1_029571SCHEMBL1021783SCHEMBL29495537HMS547G14
데이터베이스 식별자
- CAS
23866-72-0- PubChem CID
- 5376802
- DTXSID
DTXSID70178568- ChEMBL
CHEMBL82749- Nikkaji
- J104.311K
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 72.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 360
물리화학적 성질
- 녹는점
- 222 °C · 222 °C
- 끓는 점
- 408.6 · 408.6±45.0 °C(Predicted)
- 밀도
- 1.397 · 1.397±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.94 · 6.94±0.40(Predicted)
안전 및 규제
안전 데이터
- HS 번호
- 2932990090
- hazard_code
- Xi
- 위험 참고 사항
- Irritant
화학 및 산업
공급사30 곳
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