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88746-51-4 | 11H-Benzo[b]fluorene-11-propanoic acid
CAS No: 88746-51-4 Catalog No: AG004COE MDL No:
Product Description
Catalog Number:
AG004COE
Chemical Name:
11H-Benzo[b]fluorene-11-propanoic acid
CAS Number:
88746-51-4
Molecular Formula:
C20H16O2
Molecular Weight:
288.3398
IUPAC Name:
3-(11H-benzo[b]fluoren-11-yl)propanoic acid
InChI:
InChI=1S/C20H16O2/c21-20(22)10-9-17-15-7-3-4-8-16(15)18-11-13-5-1-2-6-14(13)12-19(17)18/h1-8,11-12,17H,9-10H2,(H,21,22)
InChI Key:
XVEDQADSGFRSAD-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1c2cc3ccccc3cc2c2c1cccc2
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.346g/mol
Monoisotopic Mass:
288.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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