200,000+ products from a single source!
sales@angenechem.com
102585-08-0 | 9H-Xanthene-9-carboxylic acid, 1-azabicyclo[2.2.2]oct-3-yl ester
CAS No: 102585-08-0 Catalog No: AG0007US MDL No:
Product Description
Catalog Number:
AG0007US
Chemical Name:
9H-Xanthene-9-carboxylic acid, 1-azabicyclo[2.2.2]oct-3-yl ester
CAS Number:
102585-08-0
Molecular Formula:
C21H21NO3
Molecular Weight:
335.3963
IUPAC Name:
1-azabicyclo[2.2.2]octan-3-yl 9H-xanthene-9-carboxylate
InChI:
InChI=1S/C21H21NO3/c23-21(25-19-13-22-11-9-14(19)10-12-22)20-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)20/h1-8,14,19-20H,9-13H2
InChI Key:
DAIWBMZPSVQRCH-UHFFFAOYSA-N
SMILES:
O=C(C1c2ccccc2Oc2c1cccc2)OC1CN2CCC1CC2
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.152g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.403g/mol
Monoisotopic Mass:
335.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.