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methyl 3-(2-oxocyclohexyl)propanoate

methyl 3-(2-oxocyclohexyl)propanoate

CAS: 10407-33-7

Formula: C10H16O3

SMILES: COC(=O)CCC1CCCCC1=O

IUPAC: methyl 3-(2-oxocyclohexyl)propanoate

InChI: InChI=1/C10H16O3/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h8H,2-7H2,1H3

Composition: C (65.19%), H (8.75%), O (26.05%)

Molar Mass: 184.235

Atom Count: 29

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 184.109944375
Formal Charge 0
FSP3 0.8
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey NYUXNQYPEPSSAT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.46
Topological Polar Surface Area 43.37
Polarizability 19.28
Ring Count 1
Rotatable Bond Count 4

Suppliers

Purity (%)
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Days
Packet Size
Purity LeadTime CAS UnitPrice
97% <10 Days 10407-33-7 Quote Only
Custom Synthesis. Higher purity available. Multi gram to multi kg