ethyl 2-hydroxy-4-(2-methylphenyl)-4-oxobut-2-enoate

ethyl 2-hydroxy-4-(2-methylphenyl)-4-oxobut-2-enoate

CAS: 741286-44-2

Formula: C13H14O4

SMILES: CCOC(=O)C(O)=CC(=O)C1=CC=CC=C1C

IUPAC: ethyl 2-hydroxy-4-(2-methylphenyl)-4-oxobut-2-enoate

InChI: InChI=1S/C13H14O4/c1-3-17-13(16)12(15)8-11(14)10-7-5-4-6-9(10)2/h4-8,15H,3H2,1-2H3

Composition: C (66.66%), H (6.02%), O (27.32%)

Molar Mass: 234.251

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	234.089208931
Formal Charge	0
FSP3	0.23
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JPMDRTPSCQBGIX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.95
Topological Polar Surface Area	63.6
Polarizability	24.35
Ring Count	1
Rotatable Bond Count	5

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