3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpropanoic acid
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3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpropanoic acid
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CAS No:
63021-00-1
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Formula:
C16H18O3
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Chemical Name:
3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpropanoic acid
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Synonyms:
3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpropanoic acid;63021-00-1;Dimethyl ethyl allenolic acid methyl ether;BRN 3322557;Acide dimethyl-ethyl-allenolique ether methylique [French];Propionic acid, alpha,alpha-dimethyl-2-(6-methoxynaphthyl)-;Acide dimethyl-ethyl-allenolique ether methylique;3-10-00-01123 (Beilstein Handbook Reference);DTXSID80978930;6-Methoxy-alpha,alpha-dimethyl-2-naphthalenepropionic acid
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CAS No:
3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpropanoic acid Basic Attributes
258.31 g/mol
258.125594432 g/mol
Toxicity
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| TUMORIGENIC DATA | TDLo - Lowest published toxic dose | Oral | Rodent - mouse | 139 mg/kg/24W-I | Tumorigenic--equivocal tumorigenic agent by RTECS criteria Skin and Appendages--tumors |
Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1849- Volume(issue)/page/year: 146,916,1952 |
Computed Properties
Molecular Weight:258.31
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:258.125594432
Monoisotopic Mass:258.125594432
Topological Polar Surface Area:46.5
Heavy Atom Count:19
Complexity:324
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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