Text Search
Structure Search

4-oxo-3-phenyl-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylic acid

4-oxo-3-phenyl-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylic acid

CAS: 14691-95-3

Formula: C15H13NO4

SMILES: OC(=O)C1C2OC3(CN(C(=O)C13)C1=CC=CC=C1)C=C2

IUPAC: 4-oxo-3-phenyl-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylic acid

InChI: InChI=1/C15H13NO4/c17-13-12-11(14(18)19)10-6-7-15(12,20-10)8-16(13)9-4-2-1-3-5-9/h1-7,10-12H,8H2,(H,18,19)

Composition: C (66.41%), H (4.83%), N (5.16%), O (23.59%)

Molar Mass: 271.272

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 4
Exact Mass 271.084457903
Formal Charge 0
FSP3 0.33
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey JBIMAHPIXSSPOO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.73
Topological Polar Surface Area 66.84
Polarizability 26.92
Ring Count 4
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 14691-95-3 $427.80$427.80
Request Quote