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hex-3-en-1-yl benzoate

hex-3-en-1-yl benzoate

CAS: 25152-85-6

Formula: C13H16O2

SMILES: CCC=CCCOC(=O)C1=CC=CC=C1

IUPAC: hex-3-en-1-yl benzoate

InChI: InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h3-7,9-10H,2,8,11H2,1H3

Composition: C (76.44%), H (7.90%), O (15.66%)

Molar Mass: 204.269

Atom Count: 31

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 204.115029755
Formal Charge 0
FSP3 0.31
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey BCOXBEHFBZOJJZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.28
Topological Polar Surface Area 26.3
Polarizability 23.72
Ring Count 1
Rotatable Bond Count 6

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