Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate

HCID 2785071
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기본 정보

CAS
27871-89-2
표준 SMILES
CCCCCC1CC(=O)C=C(O)C1C(=O)OC
InChIKey
FETWVVHGLAIOOR-UHFFFAOYSA-N
분자식
C13H20O4
평균 분자량
240.29 g/mol
단동위원소 질량
240.13615912

이름 및 식별자

우선 이름
Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate
IUPAC
methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate
영어명
methyl 6-n-pentyl-2-hydroxy-4-oxo-cyclohex-2-ene-1-carboxylate
분자식
C13H20O4
분자량
240.3

이름 및 동의어

27871-89-2methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylateMethyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-enecarboxylatemethyl 2-hydroxy-4-oxo-6-pentyl-2-cyclohexene-1-carboxylatemethyl 6-n-Pentyl-2-hydroxy-4-oxo-cyclohex-2-ene-1-carboxylate2-Cyclohexene-1-carboxylic acid, 2-hydroxy-4-oxo-6-pentyl-, methyl esterSCHEMBL15994429DTXSID40382857FETWVVHGLAIOOR-UHFFFAOYSA-N7MS6722LK7MFCD02063959Methyl 2,4-dioxo-6-pentylcyclohexanecarboxylate
이름 더 보기
Methyl2-hydroxy-4-oxo-6-pentylcyclohex-2-enecarboxylateCyclohexanecarboxylic acid, 2,4-dioxo-6-pentyl-, methyl esterMethyl 4-hydroxy-2-oxo-6-pentyl-3-cyclohexene-1-carboxylate3-Cyclohexene-1-carboxylic acid, 4-hydroxy-2-oxo-6-pentyl-, methyl ester

데이터베이스 식별자

CAS
27871-89-2
PubChem CID
2785071
DTXSID
DTXSID40382857
UNII
7MS6722LK7

물성

구조 계산 물성

XLogP
3
극성 표면적
63.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
6
무거운 원자 수
17

물리화학적 성질

끓는 점
349.2 · 349.2±42.0 °C(Predicted)
밀도
1.112 · 1.112±0.06 g/cm3(Predicted)
산도 계수 (pKa)
4.35 · 4.35±0.58(Predicted)

화학 및 산업

상·하류 제품 정보

공급사9 곳

Xiamen Work-For-World Medicine Co.,Ltd.15921822462 · [email protected]
常州优凯美医药科技有限公司0519-86058959 13775231161 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
含山捷化生物科技有限公司0555-18055517827 18055517827 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]

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