Home Other Building Blocks 3-(2-ETHOXYPHENYL)PROPIONIC ACID

3-(2-ETHOXYPHENYL)PROPIONIC ACID

CAS No.:
220285-28-9
Catalog Number:
AG00BD4E
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
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Product Description
Catalog Number:
AG00BD4E
Chemical Name:
3-(2-ETHOXYPHENYL)PROPIONIC ACID
CAS Number:
220285-28-9
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD00016549
IUPAC Name:
3-(2-ethoxyphenyl)propanoic acid
InChI:
InChI=1S/C11H14O3/c1-2-14-10-6-4-3-5-9(10)7-8-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
InChI Key:
IBGXZMNEERGARC-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1CCC(=O)O
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties