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oxiran-2-ylmethyl butanoate

oxiran-2-ylmethyl butanoate

CAS: 2461-40-7

Formula: C7H12O3

SMILES: CCCC(=O)OCC1CO1

IUPAC: (oxiran-2-yl)methyl butanoate

InChI: InChI=1/C7H12O3/c1-2-3-7(8)10-5-6-4-9-6/h6H,2-5H2,1H3

Composition: C (58.32%), H (8.39%), O (33.29%)

Molar Mass: 144.17

Atom Count: 22

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 144.078644246
Formal Charge 0
FSP3 0.86
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey YLNSNVGRSIOCEU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.39
Topological Polar Surface Area 38.83
Polarizability 14.4
Ring Count 1
Rotatable Bond Count 5

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