ethyl 3-oxo-2-(phenylmethylidene)butanoate

ethyl 3-oxo-2-(phenylmethylidene)butanoate

CAS: 620-80-4

Formula: C13H14O3

SMILES: CCOC(=O)C(=CC1=CC=CC=C1)C(C)=O

IUPAC: ethyl 3-oxo-2-(phenylmethylidene)butanoate

InChI: InChI=1S/C13H14O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3

Composition: C (71.54%), H (6.47%), O (21.99%)

Molar Mass: 218.252

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.094294311
Formal Charge	0
FSP3	0.23
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	AYZGINZXVVKWKV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.2
Topological Polar Surface Area	43.37
Polarizability	23.81
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	620-80-4		$22.70-$64.31$22.70$64.31