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methyl heptanoate

methyl heptanoate

CAS: 106-73-0

Formula: C8H16O2

SMILES: CCCCCCC(=O)OC

IUPAC: methyl heptanoate

InChI: InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3

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 0
Exact Mass 144.115029755
Formal Charge 0
FSP3 0.87
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey XNCNNDVCAUWAIT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.44
Topological Polar Surface Area 26.3
Polarizability 16.23
Ring Count 0
Rotatable Bond Count 6

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