Text Search
Structure Search

2-{19-hydroxy-7-oxo-2-oxapentacyclo[12.8.0.0³,¹².0?,?.0¹?,²²]docosa-1(14),3,5,8,10,12,15,17(22),18,20-decaen-13-yl}benzoic acid

2-{19-hydroxy-7-oxo-2-oxapentacyclo[12.8.0.0³,¹².0?,?.0¹?,²²]docosa-1(14),3,5,8,10,12,15,17(22),18,20-decaen-13-yl}benzoic acid

Formula: C28H16O5

SMILES: OC(=O)C1=CC=CC=C1C1=C2C=CC3=CC(=O)C=CC3=C2OC2=C1C=CC1=C2C=CC(O)=C1

IUPAC: 2-{19-hydroxy-7-oxo-2-oxapentacyclo[12.8.0.0³,¹².0?,?.0¹?,²²]docosa-1(14),3,5,8,10,12,15,17(22),18,20-decaen-13-yl}benzoic acid

InChI: InChI=1S/C28H16O5/c29-17-7-11-19-15(13-17)5-9-23-25(21-3-1-2-4-22(21)28(31)32)24-10-6-16-14-18(30)8-12-20(16)27(24)33-26(19)23/h1-14,29H,(H,31,32)

Composition: C (77.77%), H (3.73%), O (18.50%)

Molar Mass: 432.431

Atom Count: 49

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 0
Exact Mass 432.099773615
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey LFZLBQHTPRXHSQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 138.06
Topological Polar Surface Area 83.83
Polarizability 47.96
Ring Count 6
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C28H16O5 Quote Only
Request Quote
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
98% <5 Days C28H16O5 $221.94-$1,412.32$221.94$446.39$1,412.32
Request Quote
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C28H16O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote