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72834-21-0 | 2-(9h-fluoren-2-ylmethyl)benzoic acid
CAS No: 72834-21-0 Catalog No: AG005EJU MDL No:
Product Description
Catalog Number:
AG005EJU
Chemical Name:
2-(9h-fluoren-2-ylmethyl)benzoic acid
CAS Number:
72834-21-0
Molecular Formula:
C21H16O2
Molecular Weight:
300.3505
IUPAC Name:
2-(9H-fluoren-2-ylmethyl)benzoic acid
InChI:
InChI=1S/C21H16O2/c22-21(23)20-8-4-2-5-15(20)11-14-9-10-19-17(12-14)13-16-6-1-3-7-18(16)19/h1-10,12H,11,13H2,(H,22,23)
InChI Key:
OSBNLUVXTWOMPP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Cc1ccc2c(c1)Cc1c2cccc1
NSC Number:
105683
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.115g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.357g/mol
Monoisotopic Mass:
300.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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