Home Carboxys 8-Oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

8-Oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

CAS No.:
89781-52-2
Catalog Number:
AG003YNP
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
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Product Description
Catalog Number:
AG003YNP
Chemical Name:
8-Oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CAS Number:
89781-52-2
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
MDL Number:
MFCD00471460
IUPAC Name:
8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylic acid
InChI:
InChI=1S/C11H10O3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h4-6H,1-3H2,(H,13,14)
InChI Key:
NZBNORDTBKGVQM-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1cc(cc2)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:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties