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3-methylheptanoic acid

3-methylheptanoic acid

CAS: 53663-30-2

Formula: C8H16O2

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

IUPAC: 3-methylheptanoic acid

InChI: InChI=1/C8H16O2/c1-3-4-5-7(2)6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)

Composition: C (66.63%), H (11.18%), O (22.19%)

Molar Mass: 144.214

Atom Count: 26

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 144.115029755
Formal Charge 0
FSP3 0.87
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DVESMWJFKVAFSP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.22
Topological Polar Surface Area 37.3
Polarizability 15.98
Ring Count 0
Rotatable Bond Count 5

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