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Home > Other Heterocycles > 100167-17-7
100167-17-7 | Spiro[androstane-16,3'-[3H]pyrazole] (9CI)
CAS No: 100167-17-7 Catalog No: AG00014R MDL No:
Product Description
Catalog Number:
AG00014R
Chemical Name:
Spiro[androstane-16,3'-[3H]pyrazole] (9CI)
CAS Number:
100167-17-7
Molecular Formula:
C21H32N2
Molecular Weight:
312.4922
IUPAC Name:
10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene-16,3'-pyrazole]
InChI:
InChI=1S/C21H32N2/c1-19-10-8-17-16(7-6-15-5-3-4-9-20(15,17)2)18(19)13-21(14-19)11-12-22-23-21/h11-12,15-18H,3-10,13-14H2,1-2H3
InChI Key:
WYBBZXBFNAXZNA-UHFFFAOYSA-N
SMILES:
C[C@]12CCCCC1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC1(C2)C=CN=N1)C
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.257g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.501g/mol
Monoisotopic Mass:
312.257g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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