3-methyl-4-oxopentanoic acid

3-methyl-4-oxopentanoic acid

CAS: 6628-79-1

Formula: C6H10O3

SMILES: CC(CC(O)=O)C(C)=O

IUPAC: 3-methyl-4-oxopentanoic acid

InChI: InChI=1/C6H10O3/c1-4(5(2)7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)

Composition: C (55.37%), H (7.75%), O (36.88%)

Molar Mass: 130.143

Atom Count: 19

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	130.062994182
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NFIWUVRBASXMGK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	31.66
Topological Polar Surface Area	54.37
Polarizability	12.44
Ring Count	0
Rotatable Bond Count	3

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