ethyl 2-hydroxy-4-oxo-4-phenylbut-2-enoate

ethyl 2-hydroxy-4-oxo-4-phenylbut-2-enoate

CAS: 6296-54-4

Formula: C12H12O4

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

IUPAC: ethyl 2-hydroxy-4-oxo-4-phenylbut-2-enoate

InChI: InChI=1S/C12H12O4/c1-2-16-12(15)11(14)8-10(13)9-6-4-3-5-7-9/h3-8,14H,2H2,1H3

Composition: C (65.45%), H (5.49%), O (29.06%)

Molar Mass: 220.224

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	220.073558866
Formal Charge	0
FSP3	0.17
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IFDFIQINWRDIHT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.91
Topological Polar Surface Area	63.6
Polarizability	22.59
Ring Count	1
Rotatable Bond Count	5

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