Home Other Building Blocks 2-(6-methoxy-7-methyl-1-benzofuran-3-yl)acetic acid

2-(6-methoxy-7-methyl-1-benzofuran-3-yl)acetic acid

CAS No.:
2060029-58-3
Catalog Number:
AG01C079
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
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Product Description
Catalog Number:
AG01C079
Chemical Name:
2-(6-methoxy-7-methyl-1-benzofuran-3-yl)acetic acid
CAS Number:
2060029-58-3
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
MDL Number:
MFCD30497859
IUPAC Name:
2-(6-methoxy-7-methyl-1-benzofuran-3-yl)acetic acid
InChI:
InChI=1S/C12H12O4/c1-7-10(15-2)4-3-9-8(5-11(13)14)6-16-12(7)9/h3-4,6H,5H2,1-2H3,(H,13,14)
InChI Key:
BBFOKHVYRGPUAQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1C)occ2CC(=O)O
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties