3-(6-carboxycyclohex-3-ene-1-amido)-4-methylbenzoic acid

3-(6-carboxycyclohex-3-ene-1-amido)-4-methylbenzoic acid

Formula: C16H17NO5

SMILES: CC1=CC=C(C=C1NC(=O)C1CC=CCC1C(O)=O)C(O)=O

IUPAC: 3-(6-carboxycyclohex-3-ene-1-amido)-4-methylbenzoic acid

InChI: InChI=1/C16H17NO5/c1-9-6-7-10(15(19)20)8-13(9)17-14(18)11-4-2-3-5-12(11)16(21)22/h2-3,6-8,11-12H,4-5H2,1H3,(H,17,18)(H,19,20)(H,21,22)

Composition: C (63.36%), H (5.65%), N (4.62%), O (26.37%)

Molar Mass: 303.314

Atom Count: 39

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	303.110672651
Formal Charge	0
FSP3	0.31
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	GKIJHFZQSITLDG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.78
Topological Polar Surface Area	103.7
Polarizability	29.96
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H17NO5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00