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ethyl 5-hydroxy-3-oxo-5-phenylpentanoate

ethyl 5-hydroxy-3-oxo-5-phenylpentanoate

CAS: 17071-33-9

Formula: C13H16O4

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

IUPAC: ethyl 5-hydroxy-3-oxo-5-phenylpentanoate

InChI: InChI=1/C13H16O4/c1-2-17-13(16)9-11(14)8-12(15)10-6-4-3-5-7-10/h3-7,12,15H,2,8-9H2,1H3

Composition: C (66.09%), H (6.83%), O (27.09%)

Molar Mass: 236.267

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 236.104858995
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey RWMIZRRUNPQFSQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.74
Topological Polar Surface Area 63.6
Polarizability 24.69
Ring Count 1
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 17071-33-9 $323.19-$3,572.10$323.19$595.35$1,190.70$3,572.10
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