4-({8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl}carbamoyl)butanoic acid

4-({8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl}carbamoyl)butanoic acid

Formula: C17H15NO4

SMILES: OC(=O)CCCC(=O)NC1=CC2=C(C=C1)C1=C(O2)C=CC=C1

IUPAC: 4-({8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl}carbamoyl)butanoic acid

InChI: InChI=1S/C17H15NO4/c19-16(6-3-7-17(20)21)18-11-8-9-13-12-4-1-2-5-14(12)22-15(13)10-11/h1-2,4-5,8-10H,3,6-7H2,(H,18,19)(H,20,21)

Composition: C (68.68%), H (5.09%), N (4.71%), O (21.53%)

Molar Mass: 297.31

Atom Count: 37

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	297.100107967
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OSEYXZGLXVPXBG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.58
Topological Polar Surface Area	79.54
Polarizability	33.14
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H15NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00