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500536-41-4 | 2,7-Dimethyl-9-oxo-9H-fluorene-4-carboxylic acid
CAS No: 500536-41-4 Catalog No: AG003G6U MDL No:
Product Description
Catalog Number:
AG003G6U
Chemical Name:
2,7-Dimethyl-9-oxo-9H-fluorene-4-carboxylic acid
CAS Number:
500536-41-4
Molecular Formula:
C16H12O3
Molecular Weight:
252.2647
IUPAC Name:
2,7-dimethyl-9-oxofluorene-4-carboxylic acid
InChI:
InChI=1S/C16H12O3/c1-8-3-4-10-11(5-8)15(17)12-6-9(2)7-13(14(10)12)16(18)19/h3-7H,1-2H3,(H,18,19)
InChI Key:
ATPRNYZONXAEOW-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(=O)c1c2c(cc(c1)C)C(=O)O
NSC Number:
60069
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.269g/mol
Monoisotopic Mass:
252.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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