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Product details

名称

异喹啉-8-羧酸

英文别名

EN300-179289 | F0001-1631 | SCHEMBL2223329 | FT-0647213 | SY022477 | AKOS006228129 | A833306 | 8-isoquinolinecarboxylic acid | PS-5257 | AB28217 | Isoquinoline-8-carboxylic acid | MFCD06738935 | ISOQUINOLINE-8-CARBOXYLICACID | DTXSID40612929 | BB 0261098

英文名称

Isoquinoline-8-carboxylic acid

货号

I339472-1g

包装规格

运输条件

常规运输

CAS号

61563-43-7

分子式

C10H7NO2

分子量

173.17 g/mol

PubChem编号

21393830

Isomeric SMILES

C1=CC2=C(C=NC=C2)C(=C1)C(=O)O

IIUPAC Name

isoquinoline-8-carboxylic acid

INCHI

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

InChi Key

VMNZQPRIUSJCOH-UHFFFAOYSA-N

Smiles

C1=CC2=C(C=NC=C2)C(=C1)C(=O)O

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

205.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.600

Reaxy-Rn

128118

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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