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Home > Fluorides > 138630-67-8
138630-67-8 | 11H-Benzo[a]fluorene-3,9-diol, 11-[4-[2-(1-piperidinyl)ethoxy]phenyl]-
CAS No: 138630-67-8 Catalog No: AG0018XT MDL No:
Product Description
Catalog Number:
AG0018XT
Chemical Name:
11H-Benzo[a]fluorene-3,9-diol, 11-[4-[2-(1-piperidinyl)ethoxy]phenyl]-
CAS Number:
138630-67-8
Molecular Formula:
C30H29NO3
Molecular Weight:
451.5562
IUPAC Name:
11-[4-(2-piperidin-1-ylethoxy)phenyl]-11H-benzo[a]fluorene-3,9-diol
InChI:
InChI=1S/C30H29NO3/c32-22-7-12-25-21(18-22)6-11-27-26-13-8-23(33)19-28(26)29(30(25)27)20-4-9-24(10-5-20)34-17-16-31-14-2-1-3-15-31/h4-13,18-19,29,32-33H,1-3,14-17H2
InChI Key:
SGLLWAFQFIJSAO-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)C(c1ccc(cc1)OCCN1CCCCC1)c1c2ccc2c1ccc(c2)O
Properties
Complexity:
657
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.215g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
451.566g/mol
Monoisotopic Mass:
451.215g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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