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87700-57-0 | 9H-Fluorene-9-carboxylic acid, 9-hydroxy-, 1,1-dimethylethyl ester
CAS No: 87700-57-0 Catalog No: AG004JNC MDL No:
Product Description
Catalog Number:
AG004JNC
Chemical Name:
9H-Fluorene-9-carboxylic acid, 9-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
87700-57-0
Molecular Formula:
C18H18O3
Molecular Weight:
282.3337
IUPAC Name:
tert-butyl 9-hydroxyfluorene-9-carboxylate
InChI:
InChI=1S/C18H18O3/c1-17(2,3)21-16(19)18(20)14-10-6-4-8-12(14)13-9-5-7-11-15(13)18/h4-11,20H,1-3H3
InChI Key:
ZJRYMNLQPWKDMI-UHFFFAOYSA-N
SMILES:
O=C(C1(O)c2ccccc2c2c1cccc2)OC(C)(C)C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.339g/mol
Monoisotopic Mass:
282.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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