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4-(benzyloxy)butan-2-one

4-(benzyloxy)butan-2-one

CAS: 6278-91-7

Formula: C11H14O2

SMILES: CC(=O)CCOCC1=CC=CC=C1

IUPAC: 4-(benzyloxy)butan-2-one

InChI: InChI=1S/C11H14O2/c1-10(12)7-8-13-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3

Composition: C (74.13%), H (7.92%), O (17.95%)

Molar Mass: 178.231

Atom Count: 27

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 178.099379691
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey BTOZGSIVAZGXCH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.96
Topological Polar Surface Area 26.3
Polarizability 20.3
Ring Count 1
Rotatable Bond Count 5

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