Basic information
- CAS
42151-32-6- Standard SMILES
O=C(O)CC(O)(Cc1ccc(O)cc1)C(=O)O- InChIKey
XLGKDRSWPCQYAB-UHFFFAOYSA-N- Molecular formula
- C11H12O6
- Average molar mass
- 240.21 g/mol
- Monoisotopic mass
- 240.0633881
Overview
2-hydroxy-2-(4-hydroxybenzyl)succinic acid is a member of benzenes and a monocarboxylic acid.
Names & identifiers
- Preferred name
- 2-Hydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acid
- IUPAC
- 2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid
- English name
- Butanedioic acid, 2-hydroxy-2-[(4-hydroxyphenyl)methyl]-
- Molecular formula
- C11H12O6
- Molecular weight
- 240.21
Names & synonyms
2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic AcidDTXSID609623122-Hydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acidButanedioic acid, 2-hydroxy-2-((4-hydroxyphenyl)methyl)-2-Hydroxy-2-((4-hydroxyphenyl)methyl)butanedioate2-Hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioateRefChem:261599DTXCID80139012142151-32-62-Hydroxy-2-(4-hydroxybenzyl)succinic acid2-(4-Hydroxybenzyl)apfelsaureorb2893336
Show more names
Butanedioic acid, 2-hydroxy-2-[(4-hydroxyphenyl)methyl]-
SCHEMBL12466852CHEBI:139429TN8691FS-84392-Hydroxy-2-(4-hydroxybenzyl)succinicacid
Database identifiers
- CAS
42151-32-6- PubChem CID
- 181726
- DTXSID
DTXSID60962312- ChEBI
CHEBI:139429- Nikkaji
- J1.904.325H
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Boiling point
- 444.3 · 444.3±45.0 °C(Predicted)
- Density
- 1.529 · 1.529±0.06 g/cm3(Predicted)
- pka
- 3.12 · 3.12±0.13(Predicted)
Chemistry & industry
Suppliers10 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
曼斯特（成都）生物科技有限公司18011593992 · [email protected]
南京狄尔格医药科技有限公司025-025-51191215 18013836722 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Additional notes
DefinitionChEBI: 2-hydroxy-2-(4-hydroxybenzyl)succinic acid is a monocarboxylic acid and a member of benzenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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