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4-methylnonanoic acid

4-methylnonanoic acid

CAS: 45019-28-1

Formula: C10H20O2

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

IUPAC: 4-methylnonanoic acid

InChI: InChI=1/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)

Composition: C (69.72%), H (11.70%), O (18.57%)

Molar Mass: 172.268

Atom Count: 32

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 172.146329884
Formal Charge 0
FSP3 0.9
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WQTZCQIRCYSUBQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.43
Topological Polar Surface Area 37.3
Polarizability 19.66
Ring Count 0
Rotatable Bond Count 7

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