Benzoic acid, 2-cyano-, methyl ester
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Benzoic acid, 2-cyano-, methyl ester
structure -
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CAS No:
6587-24-2
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Formula:
C9H7NO2
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Chemical Name:
Benzoic acid, 2-cyano-, methyl ester
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Synonyms:
Benzoic acid,2-cyano-,methyl ester;Benzoic acid,o-cyano-,methyl ester;Methyl o-cyanobenzoate;Methyl 2-cyanobenzoate;2-Cyanobenzoic acid methyl ester
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CAS No:
Safety Information
UN 3439
R20/21/22
S36/37
Xn:Harmful;
P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501
H301
|Danger|H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:161.16
XLogP3:1.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:161.047678466
Monoisotopic Mass:161.047678466
Topological Polar Surface Area:50.1
Heavy Atom Count:12
Complexity:216
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Benzoic acid, 2-cyano-, methyl ester
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