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

3,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid

CAS No.:
133609-87-7
Catalog Number:
AG01BG1R
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BG1R
Chemical Name:
3,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
CAS Number:
133609-87-7
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD03426825
IUPAC Name:
3,3-dimethyl-2H-1-benzofuran-7-carboxylic acid
InChI:
InChI=1S/C11H12O3/c1-11(2)6-14-9-7(10(12)13)4-3-5-8(9)11/h3-5H,6H2,1-2H3,(H,12,13)
InChI Key:
ZLDFSCLOHGEFAD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1OCC2(C)C
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties