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88743-99-1 | Carbonic acid, 9H-fluoren-9-ylmethyl phenyl ester
CAS No: 88743-99-1 Catalog No: AG004COT MDL No:
Product Description
Catalog Number:
AG004COT
Chemical Name:
Carbonic acid, 9H-fluoren-9-ylmethyl phenyl ester
CAS Number:
88743-99-1
Molecular Formula:
C21H16O3
Molecular Weight:
316.3499
IUPAC Name:
9H-fluoren-9-ylmethyl phenyl carbonate
InChI:
InChI=1S/C21H16O3/c22-21(24-15-8-2-1-3-9-15)23-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20H,14H2
InChI Key:
QKHPCYUASZFPCI-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccccc1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.11g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.356g/mol
Monoisotopic Mass:
316.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and analysis of minor groove binder pyrrolepolyamide-2'-deoxyguanosine hybrids. | Journal of nucleic acids 20100101 |
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