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24479-44-5 | 1'H-Cyclobut[4,5]androstane (8CI,9CI)
CAS No: 24479-44-5 Catalog No: AG002OA2 MDL No:
Product Description
Catalog Number:
AG002OA2
Chemical Name:
1'H-Cyclobut[4,5]androstane (8CI,9CI)
CAS Number:
24479-44-5
Molecular Formula:
C14H8O3
Molecular Weight:
224.2115
IUPAC Name:
8-oxatetracyclo[9.4.0.02,5.06,10]pentadeca-1(15),2(5),6(10),11,13-pentaene-7,9-dione
InChI:
InChI=1S/C14H8O3/c15-13-11-9-4-2-1-3-7(9)8-5-6-10(8)12(11)14(16)17-13/h1-4H,5-6H2
InChI Key:
PJFWPSCDISTTRB-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c1c1CCc1c1c2cccc1
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.215g/mol
Monoisotopic Mass:
224.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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