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5-CYANO-2-HYDROXY-BENZOICACIDMETHYLESTER

5-CYANO-2-HYDROXY-BENZOICACIDMETHYLESTER structure

CAS No:
84437-12-7
Formula:
C9H7NO3
Chemical Name:
5-CYANO-2-HYDROXY-BENZOICACIDMETHYLESTER
Synonyms:
5-CYANO-2-HYDROXY-BENZOIC ACID METHYL ESTER;METHYL 5-CYANO-2-HYDROXY-BENZATE;METHYL 2-HYDROXY-5-CYANOBENZOATE;Methyl 2-hydroxy-5-cyanobenzate;Benzoic acid, 5-cyano-2-hydroxy-, methyl ester;Methyl 5-cyano-2-hydroxybenzenecarboxylate

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5-CYANO-2-HYDROXY-BENZOICACIDMETHYLESTER Basic Attributes

Molecular Weight：

177.16

Exact Mass：

177.042593085

DSSTox ID：

DTXSID00442022

HScode：

2926909090

Characteristics

PSA：

70.32000

XLogP3：

1.05048

Density：

1.32±0.1 g/cm3

Boiling Point：

306.7±32.0 °C(Predicted)

Flash Point：

139.309ºC

Refractive Index：

1.573

PKA：

7.63±0.18

Safety Information

Hazard category：

IRRITANT

hazard class code：

Marks：

Computed Properties

Molecular Weight:177.16
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:177.042593085
Monoisotopic Mass:177.042593085
Topological Polar Surface Area:70.3
Heavy Atom Count:13
Complexity:243
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-CYANO-2-HYDROXY-BENZOICACIDMETHYLESTER

Basic Attributes
Characteristics
Safety Information
Computed Properties

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