4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoic acid
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![4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/76483d806d7f410a979aa74e3ae0fa55.png "4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoic acid")
4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoic acid
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CAS No:
312531-87-6
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Formula:
C13H14N2O2
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Chemical Name:
4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoic acid
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CAS No:
4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoic acid Basic Attributes
230.26200
230.105527694 g/mol
DTXSID30346807
2933199090
Safety Information
Xi
|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:230.26
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:230.105527694
Monoisotopic Mass:230.105527694
Topological Polar Surface Area:55.1
Heavy Atom Count:17
Complexity:275
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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