2-Cyanobenzeneacetic acid
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2-Cyanobenzeneacetic acid
structure -
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CAS No:
18698-99-2
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Formula:
C9H7NO2
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Chemical Name:
2-Cyanobenzeneacetic acid
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Synonyms:
Benzeneacetic acid,2-cyano-;Acetic acid,(o-cyanophenyl)-;2-Cyanobenzeneacetic acid;2-Cyanophenylacetic acid;2-(2-Cyanophenyl)acetic acid
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CAS No:
2-Cyanobenzeneacetic acid Basic Attributes
161.15700
161.16
242-510-8
JV82PCF67H
DTXSID30171959
2926909090
Safety Information
|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:161.16
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:161.047678466
Monoisotopic Mass:161.047678466
Topological Polar Surface Area:61.1
Heavy Atom Count:12
Complexity:216
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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