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기본 정보
- CAS
5006-44-0- 표준 SMILES
Cc1ccc2oc(C(=O)[O-])cc(=O)c2c1- InChIKey
RKIDLZFIIVDZNX-UHFFFAOYSA-M- 분자식
- C11H7O4-
- 평균 분자량
- 203.173 g/mol
- 단동위원소 질량
- 203.03498228
이름 및 식별자
- 우선 이름
- 6-Methyl-4-oxo-4H-1-benzopyran-2-carboxylate
- IUPAC
- 6-Methyl-4-oxo-4H-1-benzopyran-2-carboxylate
- 영어명
- 6-Methylchromone-2-carboxylic acid
- 분자식
- C11H8O4
- 분자량
- 204.18
이름 및 동의어
AKOS GLO-BB-1376-Methylchromone-2-carboxylic acid6-Methylchromone-2-carboxylic acid, 98+%6-Methyl-4H-chromen-2-one-3-carboxylic acid6-METHYL-4-OXO-4H-CHROMENE-2-CARBOXYLIC ACID6-Methyl-4-oxo-4H-1-benzopyran-2-carboxylic acid4H-1-Benzopyran-2-carboxylic acid, 6-methyl-4-oxo-6-methyl-4-oxo-1-benzopyran-2-carboxylic acid methyl esterJRH-00402, 6-Methyl-4-oxo-4H-chromene-2-carboxylic acid, 97%
데이터베이스 식별자
- CAS
5006-44-0- PubChem CID
- 6921848
- DTXSID
DTXSID90964506
물성
물리화학적 성질
- 녹는점
- 267 · 267-270 °C (lit.)
- 끓는 점
- 367.2 · 367.2±42.0 °C(Predicted)
- 밀도
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.4 · 2.40±0.20(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- White to Light yellow to Light orange
- InChI
- InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)8(12)5-10(15-9)11(13)14/h2-5H,1H3,(H,13,14)
- InChIKey
- RKIDLZFIIVDZNX-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)OC2=CC=C(C)C=C2C(=O)C=1
화학적 성질
Almost white crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- HS 번호
- 29329990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
일반 설명6-Methylchromone-2-carboxylic acid is a chromone derivative. Chromones are cyclic compounds containing nine carbon atoms with sp2 hybridization. They are commonly referred as 1,4-benzapyranes or γ-benzopyrones. Its energy of combustion was measured by an isoperibolic micro-combustion calorimeter. Standard molar enthalpy of formation derived from the energy of combustion, for 6-methylchromone-2-carboxylic acid was reported to be -(656.2 ± 2.2)kJmol-1.
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