3-(2-METHYLPHENYL)-3-OXOPROPANENITRILE
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3-(2-METHYLPHENYL)-3-OXOPROPANENITRILE
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CAS No:
35276-81-4
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Formula:
C10H9NO
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Chemical Name:
3-(2-METHYLPHENYL)-3-OXOPROPANENITRILE
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Synonyms:
Benzenepropanenitrile, 2-Methyl-b-oxo-;JR-8667, 3-Oxo-3-o-tolylpropanenitrile, 97%;Benzenepropanenitrile, 2-methyl-β-oxo-
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CAS No:
3-(2-METHYLPHENYL)-3-OXOPROPANENITRILE Basic Attributes
159.18
159.068413911 g/mol
DTXSID50366401
2926909090
Characteristics
40.86000
2.09138
1.081±0.06 g/cm3
81-82 °C
310.9±25.0 °C(Predicted)
141.8ºC
1.532
7.73±0.10
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:159.18
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:159.068413911
Monoisotopic Mass:159.068413911
Topological Polar Surface Area:40.9
Heavy Atom Count:12
Complexity:213
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 3-(2-METHYLPHENYL)-3-OXOPROPANENITRILE
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InquiryUnit Price: $100 /KG EXWCAS No.: 35276-81-4Grade: Pharmaceutical GradeContent: 99%
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