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83291-42-3 | (3s,10bs)-1,2,3,10b-tetrahydrofluoranthen-3-ol
CAS No: 83291-42-3 Catalog No: AG0055V8 MDL No:
Product Description
Catalog Number:
AG0055V8
Chemical Name:
(3s,10bs)-1,2,3,10b-tetrahydrofluoranthen-3-ol
CAS Number:
83291-42-3
Molecular Formula:
C16H14O
Molecular Weight:
222.2818
IUPAC Name:
(3S,10bS)-1,2,3,10b-tetrahydrofluoranthen-3-ol
InChI:
InChI=1S/C16H14O/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-7,13,15,17H,8-9H2/t13-,15-/m0/s1
InChI Key:
KQBSTEMEMPDYRB-ZFWWWQNUSA-N
SMILES:
O[C@H]1CC[C@@H]2c3c1cccc3c1c2cccc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
222.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.287g/mol
Monoisotopic Mass:
222.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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