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1,3-diethyl 2-[hydroxy(phenyl)methylidene]propanedioate

1,3-diethyl 2-[hydroxy(phenyl)methylidene]propanedioate

CAS: 1087-97-4

Formula: C14H16O5

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

IUPAC: 1,3-diethyl 2-[hydroxy(phenyl)methylidene]propanedioate

InChI: InChI=1S/C14H16O5/c1-3-18-13(16)11(14(17)19-4-2)12(15)10-8-6-5-7-9-10/h5-9,15H,3-4H2,1-2H3

Composition: C (63.63%), H (6.10%), O (30.27%)

Molar Mass: 264.277

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 264.099773615
Formal Charge 0
FSP3 0.29
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MNKLARJAAXPHAB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.06
Topological Polar Surface Area 72.83
Polarizability 26.99
Ring Count 1
Rotatable Bond Count 7

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