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2-methyloxan-4-one

2-methyloxan-4-one

CAS: 1193-20-0

Formula: C6H10O2

SMILES: CC1CC(=O)CCO1

IUPAC: 2-methyloxan-4-one

InChI: InChI=1/C6H10O2/c1-5-4-6(7)2-3-8-5/h5H,2-4H2,1H3

Composition: C (63.14%), H (8.83%), O (28.03%)

Molar Mass: 114.144

Atom Count: 18

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 114.068079562
Formal Charge 0
FSP3 0.83
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey MQOPUXINXNVMKJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 29.91
Topological Polar Surface Area 26.3
Polarizability 11.83
Ring Count 1
Rotatable Bond Count 0

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