기본 정보
- CAS
94094-27-6- 표준 SMILES
Cc1ccc(C(=O)c2cccc(/C=C/C(=O)O)n2)cc1- InChIKey
USGBEAJEZNVPAG-MDZDMXLPSA-N- 분자식
- C16H13NO3
- 평균 분자량
- 267.28 g/mol
- 단동위원소 질량
- 267.08954328
이름 및 식별자
- 우선 이름
- (E)-3-[6-(p-toluoyl)-2-pyridyl]acrylic acid
- IUPAC
- (E)-3-[6-(4-methylbenzoyl)-2-pyridinyl]prop-2-enoic acid
- 현지명
- (E)-3-[6-(p-톨루오일)-2-피리딜]아크릴산
- 영어명
- (E)-3-[6-(p-toluoyl)-2-pyridyl]acrylic acid
- 분자식
- C16H13NO3
- 분자량
- 267.28
이름 및 동의어
(E)-3-(6-(p-Toluoyl)-2-pyridyl)acrylic acidEINECS 302-128-5(E)-3-[6-(P-TOLUOYL)-2-PYRIDYL]ACRYLIC ACIDRefChem:406313302-128-594094-27-6(E)-3-{6-(4-Toluoyl-2-pyridyl}-acrylic AcidSCHEMBL4078321(E)-3-[6-(4-methylbenzoyl)pyridin-2-yl]prop-2-enoic acidDTXSID501184868(2E)-3-[6-(4-METHYLBENZOYL)PYRIDIN-2-YL]PROP-2-ENOIC ACIDNS00063830
이름 더 보기
(E)-3-[6-(p-톨루오일)-2-피리딜]아크릴산(E)-3-[6-(4-Methylbenzoyl)-2-pyridinyl]propenoic acid2-Propenoic acid, 3-[6-(4-methylbenzoyl)-2-pyridinyl]-, (E)- (9CI)
(E)-3-[6-(4-toluoyl)-2-pyridyl]acrylic acid(E)-3-(6-(4-methylbenzoyl)pyridin-2-yl)acrylic acid2-Propenoic acid, 3-[6-(4-methylbenzoyl)-2-pyridinyl]-, (E)-(E)-3-{6-(4-Toluoyl-2-pyridyl}-acrylic Acid; 2-Propenoic acid, 3-[6-(4-methylbenzoyl)-2-pyridinyl]-, (E)- (9CI); (E)-3-[6-(4-Toluoyl-2-pyridyl)]-acrylic Acid
데이터베이스 식별자
- CAS
94094-27-6- PubChem CID
- 11971260
- DTXSID
DTXSID501184868- EC Number
- 302-128-5
- Nikkaji
- J288.594H
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 67.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 383
안전 및 규제
유해성 정보
Regulatory InformationREACH registered substance: (E)-3-[6-(p-toluoyl)-2-pyridyl]acrylic acid (EC: 302-128-5)
화학 및 산업
응용 분야
용도(E)-3-{6-(4-Toluoyl-2-pyridyl}-acrylic Acid is an acrivastine ( CAS: 87848-99-5) impurity. Acrivastine is a nitrogenous compound involved in local immune response
공급사1 곳
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