기본 정보
- CAS
851517-09-4- 표준 SMILES
COc1cc(/C=C/C(=O)c2c(O)cc(C)oc2=O)ccc1O- InChIKey
LRCLIDIMQAJTGZ-GQCTYLIASA-N- 분자식
- C16H14O6
- 평균 분자량
- 302.28 g/mol
- 단동위원소 질량
- 302.07903816
이름 및 식별자
- 우선 이름
- (E)-4-hydroxy-3-(3-(4-hydroxy-3-methoxyphenyl)acryloyl)-6-methyl-2H-pyran-2-one
- IUPAC
- 4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-6-methylpyran-2-one
- 영어명
- 4-HYDROXY-3-[3-(4-HYDROXY-3-METHOXY-PHENYL)-ACRYLOYL]-6-METHYL-PYRAN-2-ONE
- 분자식
- C16H14O6
- 분자량
- 302.28
이름 및 동의어
851517-09-4(E)-4-hydroxy-3-(3-(4-hydroxy-3-methoxyphenyl)acryloyl)-6-methyl-2H-pyran-2-one4-hydroxy-3-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-6-methyl-2H-pyran-2-oneMFCD005428334-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-6-methylpyran-2-oneCHEMBL190814SCHEMBL5801289ALBB-030745STL382085AKOS015866262NCGC00160273-01NS-05117
이름 더 보기
4-HYDROXY-3-[3-(4-HYDROXY-3-METHOXY-PHENYL)-ACRYLOYL]-6-METHYL-PYRAN-2-ONE2H-Pyran-2-one, 4-hydroxy-3-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-6-methyl-
EN300-303225H45405SR-01000195970SR-01000195970-14-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]-6-methyl-pyran-2-one4-Hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)acryloyl]-6-methyl-2H-pyran-2-one4-Hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-6-methyl-2H-pyran-2-oneNCGC00160273-01!4-Hydroxy-3-[3-(4-hydroxy-3-methoxy-phenyl)-acryloyl]-6-methyl-pyran-2-one
데이터베이스 식별자
- CAS
851517-09-4- PubChem CID
- 135400377
- ChEMBL
CHEMBL190814
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 93.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 557
물리화학적 성질
- 끓는 점
- 480.961 · 480.961±45.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.412 · 1.412±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 5.104 · 5.104±0.50(predicted)
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