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1-OXO-1,2-DIHYDRO-4-ISOQUINOLINECARBOXYLICACID

1-OXO-1,2-DIHYDRO-4-ISOQUINOLINECARBOXYLICACID structure

CAS No:
34014-51-2
Formula:
C10H7NO3
Chemical Name:
1-OXO-1,2-DIHYDRO-4-ISOQUINOLINECARBOXYLICACID
Synonyms:
1-OXO-1,2-DIHYDRO-4-ISOQUINOLINECARBOXYLIC ACID;1-OXO-1,2-DIHYDRO-ISOQUINOLINE-4-CARBOXYLIC ACID;1,2-Dihydro-1-oxoisoquinoline-4-carboxylic acid;1-Hydroxyisoquinoline-4-carboxylic acid;1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid (en);1-oxo-1,2-dihydro-4-isoquinoL;4-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-

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1-OXO-1,2-DIHYDRO-4-ISOQUINOLINECARBOXYLICACID Basic Attributes

Molecular Weight：

189.17

Exact Mass：

189.042593085 g/mol

DSSTox ID：

DTXSID20349120

HScode：

2933790090

Characteristics

PSA：

70.16000

XLogP3：

1.22630

Density：

1.429±0.06 g/cm3

Melting Point：

310°

Boiling Point：

430.6±45.0 °C(Predicted)

Flash Point：

214.2ºC

Refractive Index：

1.638

PKA：

6.29±0.20

Safety Information

Hazard category：

IRRITANT

hazard class code：

Marks：

Computed Properties

Molecular Weight:189.17
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:189.042593085
Monoisotopic Mass:189.042593085
Topological Polar Surface Area:66.4
Heavy Atom Count:14
Complexity:309
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-OXO-1,2-DIHYDRO-4-ISOQUINOLINECARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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