2-Hydroxy-3-methyl-2-phenylbutanoic acid - CAS 15879-60-4
Catalog: |
BB060837 |
Product Name: |
2-Hydroxy-3-methyl-2-phenylbutanoic acid |
CAS: |
15879-60-4 |
Synonyms: |
2-hydroxy-3-methyl-2-phenylbutanoic acid; 2-hydroxy-3-methyl-2-phenylbutanoicacid; 2-Phenyl-2-hydroxy-3-methylbutyric acid |
IUPAC Name: | 2-hydroxy-3-methyl-2-phenylbutanoic acid |
Description: | 2-Hydroxy-3-methyl-2-phenylbutanoic acid |
Molecular Weight: | 194.23 |
Molecular Formula: | C11H14O3 |
Canonical SMILES: | CC(C)C(C1=CC=CC=C1)(C(=O)O)O |
InChI: | InChI=1S/C11H14O3/c1-8(2)11(14,10(12)13)9-6-4-3-5-7-9/h3-8,14H,1-2H3,(H,12,13) |
InChI Key: | KWPNNDWNSLBFPU-UHFFFAOYSA-N |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.094294304 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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