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Home Other Building Blocks Methyl 2-(4-isobutylphenyl)propanoate

Methyl 2-(4-isobutylphenyl)propanoate

CAS No.:
61566-34-5
Catalog Number:
AG00EBS7
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$87
- +
5g
98%
1 week
United States
$184
- +
25g
98%
1 week
United States
$475
- +
Product Description
Catalog Number:
AG00EBS7
Chemical Name:
Methyl 2-(4-isobutylphenyl)propanoate
CAS Number:
61566-34-5
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
MDL Number:
MFCD00869922
IUPAC Name:
methyl 2-[4-(2-methylpropyl)phenyl]propanoate
InChI:
InChI=1S/C14H20O2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(15)16-4/h5-8,10-11H,9H2,1-4H3
InChI Key:
YNZYUHPFNYBBFF-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1)CC(C)C)C
EC Number:
262-853-7
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
2-Arylpropionic CXC chemokine receptor 1 (CXCR1) ligands as novel noncompetitive CXCL8 inhibitors. Journal of medicinal chemistry 20050630
Properties