ethyl 7-hydroxy-4-oxo-4H-chromen-2-carboxylate

HCID 5376802

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

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

上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

관련 반응

24건

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