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4-methoxybut-3-en-2-one

4-methoxybut-3-en-2-one

CAS: 4652-27-1

Formula: C5H8O2

SMILES: COC=CC(C)=O

IUPAC: 4-methoxybut-3-en-2-one

InChI: InChI=1S/C5H8O2/c1-5(6)3-4-7-2/h3-4H,1-2H3

Composition: C (59.98%), H (8.05%), O (31.96%)

Molar Mass: 100.117

Atom Count: 15

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 100.052429498
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey VLLHEPHWWIDUSS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 27.57
Topological Polar Surface Area 26.3
Polarizability 10.47
Ring Count 0
Rotatable Bond Count 2

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