Home Carboxys 6-oxo-octahydro-1H-indene-3a-carboxylic acid

6-oxo-octahydro-1H-indene-3a-carboxylic acid

CAS No.:
1554588-19-0
Catalog Number:
AG01EK06
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
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Product Description
Catalog Number:
AG01EK06
Chemical Name:
6-oxo-octahydro-1H-indene-3a-carboxylic acid
CAS Number:
1554588-19-0
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
MDL Number:
MFCD31666864
IUPAC Name:
6-oxo-2,3,4,5,7,7a-hexahydro-1H-indene-3a-carboxylic acid
InChI:
InChI=1S/C10H14O3/c11-8-3-5-10(9(12)13)4-1-2-7(10)6-8/h7H,1-6H2,(H,12,13)
InChI Key:
PSINJGYRAIKJBP-UHFFFAOYSA-N
SMILES:
O=C1CCC2(C(C1)CCC2)C(=O)O
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties