3-Chloro-4-hydroxy-5-methoxybenzoic acid
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3-Chloro-4-hydroxy-5-methoxybenzoic acid
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CAS No:
62936-23-6
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Formula:
C8H7ClO4
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Chemical Name:
3-Chloro-4-hydroxy-5-methoxybenzoic acid
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Synonyms:
Benzoic acid,3-chloro-4-hydroxy-5-methoxy-;Vanillic acid,5-chloro-;3-Chloro-4-hydroxy-5-methoxybenzoic acid;5-Chlorovanillic acid;NSC 45930
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CAS No:
3-Chloro-4-hydroxy-5-methoxybenzoic acid Basic Attributes
202.59
202.59
2648897
263-766-7
45930
2918990090
Characteristics
66.8
2.53
Lurid powder
1.5±0.1 g/cm3
244-245 °C
352.3±42.0 °C at 760 mmHg
166.9±27.9 °C
1.600
Safety Information
36/37/38-36
26-37
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H302 (20%): 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 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:202.59
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:202.0032864
Monoisotopic Mass:202.0032864
Topological Polar Surface Area:66.8
Heavy Atom Count:13
Complexity:197
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Chloro-4-hydroxy-5-methoxybenzoic acid
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