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116996-80-6 | 9H-Fluorene-2-butanoic acid, 7-butyl-
CAS No: 116996-80-6 Catalog No: AG000DGW MDL No:
Product Description
Catalog Number:
AG000DGW
Chemical Name:
9H-Fluorene-2-butanoic acid, 7-butyl-
CAS Number:
116996-80-6
Molecular Formula:
C21H24O2
Molecular Weight:
308.4141
IUPAC Name:
4-(7-butyl-9H-fluoren-2-yl)butanoic acid
InChI:
InChI=1S/C21H24O2/c1-2-3-5-15-8-10-19-17(12-15)14-18-13-16(9-11-20(18)19)6-4-7-21(22)23/h8-13H,2-7,14H2,1H3,(H,22,23)
InChI Key:
INTZUZDSGQEGTO-UHFFFAOYSA-N
SMILES:
CCCCc1ccc2c(c1)Cc1c2ccc(c1)CCCC(=O)O
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.178g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.421g/mol
Monoisotopic Mass:
308.178g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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