3-Benzyl-4-methylpentanoic Acid - CAS 55001-03-1
Catalog: |
BB028881 |
Product Name: |
3-Benzyl-4-methylpentanoic Acid |
CAS: |
55001-03-1 |
Synonyms: |
4-methyl-3-(phenylmethyl)pentanoic acid; 3-benzyl-4-methylpentanoic acid |
IUPAC Name: | 3-benzyl-4-methylpentanoic acid |
Description: | 3-Benzyl-4-methylpentanoic Acid (CAS# 55001-03-1 ) is a useful research chemical. |
Molecular Weight: | 206.28 |
Molecular Formula: | C13H18O2 |
Canonical SMILES: | CC(C)C(CC1=CC=CC=C1)CC(=O)O |
InChI: | InChI=1S/C13H18O2/c1-10(2)12(9-13(14)15)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,14,15) |
InChI Key: | YLDJHOTXCVFQHW-UHFFFAOYSA-N |
LogP: | 2.97600 |
Publication Number | Title | Priority Date |
US-2020330969-A1 | Novel metal complex, method for producing same, and method for producing gamma-lactam compound using same | 20180102 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.130679813 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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