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ethyl 4-(4-methylphenyl)-3-oxobutanoate

ethyl 4-(4-methylphenyl)-3-oxobutanoate

CAS: 62135-86-8

Formula: C13H16O3

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

IUPAC: ethyl 4-(4-methylphenyl)-3-oxobutanoate

InChI: InChI=1S/C13H16O3/c1-3-16-13(15)9-12(14)8-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3

Composition: C (70.89%), H (7.32%), O (21.79%)

Molar Mass: 220.268

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 220.109944375
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey GDXNSFVXXGAUMU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.82
Topological Polar Surface Area 43.37
Polarizability 23.98
Ring Count 1
Rotatable Bond Count 6

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