(2E)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)prop-2-enoic acid

(2E)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)prop-2-enoic acid

Formula: C12H13IO4

SMILES: CCOC1=C(I)C=C(C=CC(O)=O)C=C1OC

IUPAC: (2E)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)prop-2-enoic acid

InChI: InChI=1S/C12H13IO4/c1-3-17-12-9(13)6-8(4-5-11(14)15)7-10(12)16-2/h4-7H,3H2,1-2H3,(H,14,15)/b5-4+

Composition: C (41.40%), H (3.76%), I (36.45%), O (18.38%)

Molar Mass: 348.136

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	347.98585
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	UMODLKKPJXWXBK-SNAWJCMRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.1
Topological Polar Surface Area	55.76
Polarizability	28.27
Ring Count	1
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H13IO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00