4-[(1E)-2-carboxy-2-cyanoeth-1-en-1-yl]benzoic acid

4-[(1E)-2-carboxy-2-cyanoeth-1-en-1-yl]benzoic acid

Formula: C11H7NO4

SMILES: OC(=O)C(=CC1=CC=C(C=C1)C(O)=O)C#N

IUPAC: 4-[(1E)-2-carboxy-2-cyanoeth-1-en-1-yl]benzoic acid

InChI: InChI=1S/C11H7NO4/c12-6-9(11(15)16)5-7-1-3-8(4-2-7)10(13)14/h1-5H,(H,13,14)(H,15,16)/b9-5+

Composition: C (60.83%), H (3.25%), N (6.45%), O (29.47%)

Molar Mass: 217.18

Atom Count: 23

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	217.037507709
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	NSPVKWWJNGGXPA-WEVVVXLNSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.37
Topological Polar Surface Area	98.39
Polarizability	20.22
Ring Count	1
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C11H7NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00