Home Carboxys 7-Methylbenzofuran-2-carboxylic acid

7-Methylbenzofuran-2-carboxylic acid

CAS No.:
17349-64-3
Catalog Number:
AG00B5XN
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG00B5XN
Chemical Name:
7-Methylbenzofuran-2-carboxylic acid
CAS Number:
17349-64-3
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD11574543
IUPAC Name:
7-methyl-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C10H8O3/c1-6-3-2-4-7-5-8(10(11)12)13-9(6)7/h2-5H,1H3,(H,11,12)
InChI Key:
ZGVCUDGNUWNJDI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(o1)c(C)ccc2
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:
2.8  
Properties