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23342-32-7 | 1H-Indene-4-carboxylic acid, 2,3-dihydro-2,2,5,7-tetramethyl-1-oxo-
CAS No: 23342-32-7 Catalog No: AG002MX5 MDL No:MFCD00053039
Product Description
Catalog Number:
AG002MX5
Chemical Name:
1H-Indene-4-carboxylic acid, 2,3-dihydro-2,2,5,7-tetramethyl-1-oxo-
CAS Number:
23342-32-7
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
MDL Number:
MFCD00053039
IUPAC Name:
2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carboxylic acid
InChI:
InChI=1S/C14H16O3/c1-7-5-8(2)11(13(16)17)9-6-14(3,4)12(15)10(7)9/h5H,6H2,1-4H3,(H,16,17)
InChI Key:
STZOOTNYAOKYQA-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)cc(c2c1CC(C2=O)(C)C)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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