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Benzoic acid, 3-formyl-4-hydroxy-, methyl ester

Benzoic acid, 3-formyl-4-hydroxy-, methyl ester structure

CAS No:
24589-99-9
Formula:
C9H8O4
Chemical Name:
Benzoic acid, 3-formyl-4-hydroxy-, methyl ester
Synonyms:
Benzoic acid,3-formyl-4-hydroxy-,methyl ester;Isophthalaldehydic acid,4-hydroxy-,methyl ester;5-Carbomethoxysalicylaldehyde;Methyl 3-formyl-4-hydroxybenzoate;5-(Methoxycarbonyl)salicylaldehyde;3-Formyl-4-hydroxybenzoic acid methyl ester;Methyl-3-formyl-4-hydroxybenzoic acid
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Benzoic acid, 3-formyl-4-hydroxy-, methyl ester Basic Attributes

Molecular Weight：

180.15700

Exact Mass：

180.16

DSSTox ID：

DTXSID90179335

HScode：

2918990090

Characteristics

PSA：

63.60000

XLogP3：

0.99130

Density：

1.31g/cm3

Melting Point：

78-80 °C @ Solvent: Methanol, Water

Boiling Point：

299.3ºC

Flash Point：

120.5ºC

Refractive Index：

1.594

Vapor Pressure：

0.000677mmHg at 25°C

Safety Information

hazard class code：

R22

safety instructions：

S26

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:180.16
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:180.04225873
Monoisotopic Mass:180.04225873
Topological Polar Surface Area:63.6
Heavy Atom Count:13
Complexity:202
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 24589-99-9

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Guide of Benzoic acid, 3-formyl-4-hydroxy-, methyl ester

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