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3-Cyano-4-hydroxybenzoicacid

3-Cyano-4-hydroxybenzoicacid structure

CAS No:
70829-28-6
Formula:
C8H5NO3
Chemical Name:
3-Cyano-4-hydroxybenzoicacid
Synonyms:
3-Cyano-4-hydroxybenzoic Acid;Benzoic acid, 3-cyano-4-hydroxy-;UNII-2PTA3WT4SI;2PTA3WT4SI;3-Cyano-4-hydroxybenzoicAcid;PubChem16076;SCHEMBL106260;CTK5D3049;DTXSID20456505;BCP28268
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-Cyano-4-hydroxybenzoicacid Basic Attributes

Molecular Weight：

163.13

Exact Mass：

163.026947

UNII：

2PTA3WT4SI

DSSTox ID：

DTXSID20456505

HScode：

2926909090

Characteristics

PSA：

81.3

XLogP3：

1.8

Density：

1.5±0.1 g/cm3

Melting Point：

265-266 °C

Boiling Point：

392.447°C at 760 mmHg

Flash Point：

191.1±26.5 °C

Refractive Index：

1.643

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:163.13
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:163.026943022
Monoisotopic Mass:163.026943022
Topological Polar Surface Area:81.3
Heavy Atom Count:12
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 70829-28-6

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CAS No.: 70829-28-6

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Guide of 3-Cyano-4-hydroxybenzoicacid

Basic Attributes
Characteristics
Safety Information
Computed Properties
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