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4-methylhexanoic acid

4-methylhexanoic acid

CAS: 1561-11-1

Formula: C7H14O2

SMILES: CCC(C)CCC(O)=O

IUPAC: 4-methylhexanoic acid

InChI: InChI=1/C7H14O2/c1-3-6(2)4-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)

Composition: C (64.58%), H (10.84%), O (24.58%)

Molar Mass: 130.187

Atom Count: 23

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 130.099379691
Formal Charge 0
FSP3 0.86
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DIVCBWJKVSFZKJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.62
Topological Polar Surface Area 37.3
Polarizability 14.14
Ring Count 0
Rotatable Bond Count 4

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