200,000+ products from a single source!
sales@angenechem.com
28820-39-5 | Difluoreno[3,2-c:2',3'-e]oxepin-6,8,14,17-tetrone (9CI)
CAS No: 28820-39-5 Catalog No: AG002WN7 MDL No:
Product Description
Catalog Number:
AG002WN7
Chemical Name:
Difluoreno[3,2-c:2',3'-e]oxepin-6,8,14,17-tetrone (9CI)
CAS Number:
28820-39-5
Molecular Formula:
C28H12O5
Molecular Weight:
428.3919
IUPAC Name:
16-oxaheptacyclo[16.11.0.02,14.04,12.06,11.020,28.021,26]nonacosa-1(18),2(14),3,6,8,10,12,19,21,23,25,28-dodecaene-5,15,17,27-tetrone
InChI:
InChI=1S/C28H12O5/c29-25-15-7-3-1-5-13(15)17-11-23-19(9-21(17)25)20-10-22-18(12-24(20)28(32)33-27(23)31)14-6-2-4-8-16(14)26(22)30/h1-12H
InChI Key:
WQPNFJHNQRNPQG-UHFFFAOYSA-N
SMILES:
O=C1c2cc3c(cc2c2c1cccc2)c(=O)oc(=O)c1c3cc2C(=O)c3c(c2c1)cccc3
Properties
Complexity:
836
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.068g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.399g/mol
Monoisotopic Mass:
428.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.