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benzyl pent-4-enoate

benzyl pent-4-enoate

CAS: 113882-48-7

Formula: C12H14O2

SMILES: C=CCCC(=O)OCC1=CC=CC=C1

IUPAC: benzyl pent-4-enoate

InChI: InChI=1S/C12H14O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h2,4-8H,1,3,9-10H2

Composition: C (75.76%), H (7.42%), O (16.82%)

Molar Mass: 190.242

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 190.099379691
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey XHZWDEGVEUATPY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.9
Topological Polar Surface Area 26.3
Polarizability 21.9
Ring Count 1
Rotatable Bond Count 6

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