200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 113561-34-5
113561-34-5 | 2H-Cyclopenta[l]phenanthren-2-one, 1-(2,2-dimethyl-1-oxopropyl)-3,3a-dihydro-3a-hydroxy-
CAS No: 113561-34-5 Catalog No: AG0008ZN MDL No:
Product Description
Catalog Number:
AG0008ZN
Chemical Name:
2H-Cyclopenta[l]phenanthren-2-one, 1-(2,2-dimethyl-1-oxopropyl)-3,3a-dihydro-3a-hydroxy-
CAS Number:
113561-34-5
Molecular Formula:
C22H20O3
Molecular Weight:
332.3924
IUPAC Name:
1-(2,2-dimethylpropanoyl)-4-hydroxy-3,4-dihydrocyclopenta[l]phenanthren-2-one
InChI:
InChI=1S/C22H20O3/c1-22(2,3)21(25)20-17(24)11-15-18-13(9-6-10-16(18)23)12-7-4-5-8-14(12)19(15)20/h4-10,16,23H,11H2,1-3H3
InChI Key:
VATFTEKLHGESES-UHFFFAOYSA-N
SMILES:
O=C1CC2(C(=C1C(=O)C(C)(C)C)c1ccccc1c1c2cccc1)O
Properties
Complexity:
783
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.141g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.399g/mol
Monoisotopic Mass:
332.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.