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

3-(1-benzofuran-2-yl)-2-oxopropanoic acid

CAS No.:
1156724-77-4
Catalog Number:
AG01B9EH
Molecular Formula:
C11H8O4
Molecular Weight:
204.1788
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Product Description
Catalog Number:
AG01B9EH
Chemical Name:
3-(1-benzofuran-2-yl)-2-oxopropanoic acid
CAS Number:
1156724-77-4
Molecular Formula:
C11H8O4
Molecular Weight:
204.1788
MDL Number:
MFCD12171613
IUPAC Name:
3-(1-benzofuran-2-yl)-2-oxopropanoic acid
InChI:
InChI=1S/C11H8O4/c12-9(11(13)14)6-8-5-7-3-1-2-4-10(7)15-8/h1-5H,6H2,(H,13,14)
InChI Key:
OTDAVGQFYDIVBS-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)Cc1cc2c(o1)cccc2
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.042g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.181g/mol
Monoisotopic Mass:
204.042g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties