methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate

methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate

Formula: C12H9NO4

SMILES: COC(=O)C(=C/C1=CC=C2OCOC2=C1)C#N

IUPAC: methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate

InChI: InChI=1S/C12H9NO4/c1-15-12(14)9(6-13)4-8-2-3-10-11(5-8)17-7-16-10/h2-5H,7H2,1H3/b9-4-

Composition: C (62.34%), H (3.92%), N (6.06%), O (27.68%)

Molar Mass: 231.207

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	231.053157774
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	IUOSQCONBLAUEC-WTKPLQERSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.65
Topological Polar Surface Area	68.55
Polarizability	22.42
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H9NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00