Home Other Building Blocks 2-(2-ethyl-1-benzofuran-3-yl)acetic acid

2-(2-ethyl-1-benzofuran-3-yl)acetic acid

CAS No.:
52407-48-4
Catalog Number:
AG01BVTL
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BVTL
Chemical Name:
2-(2-ethyl-1-benzofuran-3-yl)acetic acid
CAS Number:
52407-48-4
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
MDL Number:
MFCD17259667
IUPAC Name:
2-(2-ethyl-1-benzofuran-3-yl)acetic acid
InChI:
InChI=1S/C12H12O3/c1-2-10-9(7-12(13)14)8-5-3-4-6-11(8)15-10/h3-6H,2,7H2,1H3,(H,13,14)
InChI Key:
ZSMYNXJVEWZTLM-UHFFFAOYSA-N
SMILES:
CCc1oc2c(c1CC(=O)O)cccc2
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties