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methyl cyclohex-1-ene-1-carboxylate

methyl cyclohex-1-ene-1-carboxylate

CAS: 18448-47-0

Formula: C8H12O2

SMILES: COC(=O)C1=CCCCC1

IUPAC: methyl cyclohex-1-ene-1-carboxylate

InChI: InChI=1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3

Composition: C (68.55%), H (8.63%), O (22.83%)

Molar Mass: 140.182

Atom Count: 22

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 140.083729626
Formal Charge 0
FSP3 0.62
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey KXPWRCPEMHIZGU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.49
Topological Polar Surface Area 26.3
Polarizability 15.26
Ring Count 1
Rotatable Bond Count 2

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