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benzyl pent-4-ynoate

benzyl pent-4-ynoate

CAS: 126378-11-8

Formula: C12H12O2

SMILES: O=C(CCC#C)OCC1=CC=CC=C1

IUPAC: benzyl pent-4-ynoate

InChI: InChI=1S/C12H12O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h1,4-8H,3,9-10H2

Composition: C (76.57%), H (6.43%), O (17.00%)

Molar Mass: 188.226

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 188.083729626
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey XGYMSTGTNFBNFT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.32
Topological Polar Surface Area 26.3
Polarizability 21.04
Ring Count 1
Rotatable Bond Count 5

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