61659-12-9 ((1-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-6-hydroxy-1-[(4-hydroxyphenyl)methyl]-)

快速询单

结构式：

1-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-6-hydroxy-1-[(4-hydroxyphenyl)methyl]-MOL文件

CAS号：

61659-12-9

英文名称：

1-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-6-hydroxy-1-[(4-hydroxyphenyl)methyl]-

分子式：

C₁₇H₁₇NO₄

分子量：

299.321184873581

1-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-6-hydroxy-1-[(4-hydroxyphenyl)methyl]-(61659-12-9)名称与标识符

名称

英文别名：

1-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-6-hydroxy-1-[(4-hydroxyphenyl)methyl]-;1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-6-hydroxy-1-[(4-hydroxyphenyl)methyl]-;

标识符

InChIKey：

YNZYMGWKCFJAOV-UHFFFAOYSA-N

Inchi：

1S/C17H17NO4/c19-13-3-1-11(2-4-13)10-17(16(21)22)15-6-5-14(20)9-12(15)7-8-18-17/h1-6,9,18-20H,7-8,10H2,(H,21,22)

SMILES：

C1(CC2=CC=C(O)C=C2)(C(O)=O)C2=C(C=C(O)C=C2)CCN1

1-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-6-hydroxy-1-[(4-hydroxyphenyl)methyl]-(61659-12-9)物化性质

实验特性

PSA : 89.79
沸点 : 577.8±50.0 °C(Predicted)
熔点 : 268 °C (decomp)
酸度系数(pKa) : 1.73±0.20(Predicted)
密度 : 1.372±0.06 g/cm3(Predicted)

计算特性

精确分子量 : 299.11581

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61659-12-9 ((1-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-6-hydroxy-1-[(4-hydroxyphenyl)methyl]-)

1-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-6-hydroxy-1-[(4-hydroxyphenyl)methyl]-(61659-12-9)名称与标识符

名称

标识符

1-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-6-hydroxy-1-[(4-hydroxyphenyl)methyl]-(61659-12-9)物化性质

实验特性

计算特性

目录