3-(4-CYANOPHENYL)PROPANOIC ACID
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3-(4-CYANOPHENYL)PROPANOIC ACID
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CAS No:
42287-94-5
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Formula:
C10H9NO2
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Chemical Name:
3-(4-CYANOPHENYL)PROPANOIC ACID
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Synonyms:
3-(4-CYANOPHENYL)PROPANOIC ACID;3-(4-CYANO-PHENYL)-PROPIONIC ACID;[p-Cyanophenyl]-3-propanoic acid;3-(p-Cyanophenyl)propionic acid;4-(2-Carboxyethyl)benzonitrile;4-Cyanobenzenepropionic acid;4-Cyanohydrocinnamic acid;4-cyanoBenzenepropanoic acid
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CAS No:
Safety Information
6.1
3
20/21/22-22
36/37
Xn
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302+H312+H332
|Warning|H302+H312+H332 (86.36%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:175.18
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:175.063328530
Monoisotopic Mass:175.063328530
Topological Polar Surface Area:61.1
Heavy Atom Count:13
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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