Basic information
- CAS
51632-31-6- Standard SMILES
COc1ccc(C(C(=O)O)C(C)C)cc1- InChIKey
OWSOZXBIUKEPTD-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-3-methylbutanoic acid
- IUPAC
- 2-(4-methoxyphenyl)-3-methylbutanoic acid
- English name
- 2-(4-Methoxyphenyl)-3-Methylbutanoic acid
- Molecular formula
- C12H16O3
- Molecular weight
- 208.25
Names & synonyms
2-(4-methoxyphenyl)-3-methylbutanoic acid51632-31-6Benzeneacetic acid, 4-methoxy-alpha-(1-methylethyl)-alpha-isopropyl-(4-methoxyphenyl)acetic acidSCHEMBL317875DTXSID40965942OWSOZXBIUKEPTD-UHFFFAOYSA-NAKOS011682900EN300-1831211AS-871/43477374Gliquidone ImpurityGliquidone Impurity 5
Show more names
4-Methoxy-α-(1-methylethyl)-benzeneacetic AcidBenzeneacetic acid, 4-methoxy-α-(1-methylethyl)-Benzeneacetic acid, 4-methoxy-±-(1-methylethyl)-
Database identifiers
- CAS
51632-31-6- PubChem CID
- 182674
- DTXSID
DTXSID40965942
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 153 · 153-156 °C
- Boiling point
- 155 · 155-157 °C(Press: 0.1 Torr)
- Density
- 1.087 · 1.087±0.06 g/cm3(Predicted)
- pka
- 4.41 · 4.41±0.10(Predicted)
Chemistry & industry
Suppliers15 total
济南百隆化学有限公司[email protected] · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
上海双福生物科技有限公司+86-021-58380978 13482386415 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
湖州浦瑞生物医药技术有限公司+86-0572-2745768 +86-13816075732 · [email protected]
青州达丰进出口有限公司16773308882 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
3 records
Compound notes
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