Home Carboxys 7-methoxy-3,5-dimethyl-1-benzofuran-2-carboxylic acid

7-methoxy-3,5-dimethyl-1-benzofuran-2-carboxylic acid

CAS No.:
1094253-79-8
Catalog Number:
AG01AK3I
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
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Product Description
Catalog Number:
AG01AK3I
Chemical Name:
7-methoxy-3,5-dimethyl-1-benzofuran-2-carboxylic acid
CAS Number:
1094253-79-8
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
MDL Number:
MFCD11207507
IUPAC Name:
7-methoxy-3,5-dimethyl-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C12H12O4/c1-6-4-8-7(2)10(12(13)14)16-11(8)9(5-6)15-3/h4-5H,1-3H3,(H,13,14)
InChI Key:
RRQSBMXZRNEZME-UHFFFAOYSA-N
SMILES:
COc1cc(C)cc2c1oc(c2C)C(=O)O
Properties
Complexity:
278  
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:
2  
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties