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名称

异喹啉羧酸

分子类型

小分子

别名

异喹啉-1-甲酸 | 异喹啉-1-羧酸

英文别名

英文名称

Isoquinoline-1-carboxylic acid

货号

I111156-10g

包装规格

10g

浓度

≥98%

运输条件

常规运输

产品介绍

Product Application： Isoquinoline-1-carboxylic acid was used in the preparation of 4-cyano-3-ethoxy-1-hydroxy-5,6,7,8-tetrahydroisoquinoline.

CAS号

486-73-7

分子式

C10H7NO2

分子量

173.17 g/mol

Beilstein号

129177

EC号

207-639-6

MDL号

MFCD00006901

PubChem编号

68092

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2C(=O)O

IIUPAC Name

isoquinoline-1-carboxylic acid

INCHI

1S/C10H7NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H,12,13)

InChi Key

XAAKCCMYRKZRAK-UHFFFAOYSA-N

Smiles

C1=CC=C2C(=C1)C=CN=C2C(=O)O

PubChem SID

488184083

溶解性

可溶于水

熔点

160-165°C

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

173.048 Da

单同位素质量Monoisotopic Mass

173.048 Da

拓扑极表面积Topological Polar Surface Area

50.200 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

205

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

2.1

密度

1.339

Reaxy-Rn

129177

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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