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methyl 5-phenylpentanoate

methyl 5-phenylpentanoate

CAS: 20620-59-1

Formula: C12H16O2

SMILES: COC(=O)CCCCC1=CC=CC=C1

IUPAC: methyl 5-phenylpentanoate

InChI: InChI=1S/C12H16O2/c1-14-12(13)10-6-5-9-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3

Composition: C (74.97%), H (8.39%), O (16.64%)

Molar Mass: 192.258

Atom Count: 30

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 192.115029755
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey BNNWLDUOVGYRLY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.94
Topological Polar Surface Area 26.3
Polarizability 22.07
Ring Count 1
Rotatable Bond Count 6

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