Home Carboxys 1-Indanone-6-carboxylic acid

1-Indanone-6-carboxylic acid

CAS No.:
60031-08-5
Catalog Number:
AG00E8OB
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$366
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Product Description
Catalog Number:
AG00E8OB
Chemical Name:
1-Indanone-6-carboxylic acid
CAS Number:
60031-08-5
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD02179295
IUPAC Name:
3-oxo-1,2-dihydroindene-5-carboxylic acid
InChI:
InChI=1S/C10H8O3/c11-9-4-3-6-1-2-7(10(12)13)5-8(6)9/h1-2,5H,3-4H2,(H,12,13)
InChI Key:
BIABIACQHKYEEB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)C(=O)CC2
Properties
Complexity:
247  
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:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties