91587-75-6 Purity
96%
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Specification
The molecular formula of Chembrdg-bb 9036415 is C16H22O3.
The synonyms of Chembrdg-bb 9036415 are 915893-84-4, CHEMBRDG-BB 9036415, 2-(2,2-Dimethyl-4-(o-tolyl)tetrahydro-2H-pyran-4-yl)acetic acid, 2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]acetic Acid, and [2,2-dimethyl-4-(2-methylphenyl)tetrahydro-2H-pyran-4-yl]acetic acid.
The molecular weight of Chembrdg-bb 9036415 is 262.34 g/mol.
Chembrdg-bb 9036415 was created on 2006-04-29 and last modified on 2023-12-30.
The IUPAC name of Chembrdg-bb 9036415 is 2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]acetic acid.
The InChI of Chembrdg-bb 9036415 is InChI=1S/C16H22O3/c1-12-6-4-5-7-13(12)16(10-14(17)18)8-9-19-15(2,3)11-16/h4-7H,8-11H2,1-3H3,(H,17,18).
The InChIKey of Chembrdg-bb 9036415 is FEWSPNWWSCIPBX-UHFFFAOYSA-N.
The canonical SMILES of Chembrdg-bb 9036415 is CC1=CC=CC=C1C2(CCOC(C2)(C)C)CC(=O)O.
The XLogP3-AA value of Chembrdg-bb 9036415 is 2.8.
The topological polar surface area of Chembrdg-bb 9036415 is 46.5 ?2.