Home Carboxys 5-methylbenzofuran-3-carboxylic acid

5-methylbenzofuran-3-carboxylic acid

CAS No.:
93670-26-9
Catalog Number:
AG00H5KO
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
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Product Description
Catalog Number:
AG00H5KO
Chemical Name:
5-methylbenzofuran-3-carboxylic acid
CAS Number:
93670-26-9
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD21234548
IUPAC Name:
5-methyl-1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C10H8O3/c1-6-2-3-9-7(4-6)8(5-13-9)10(11)12/h2-5H,1H3,(H,11,12)
InChI Key:
ZTOSOLQWPWTEEA-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(co2)C(=O)O
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties