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145576-28-9 | Cyclohexanecarboxylic acid, 4-methylene-, ethyl ester
CAS No: 145576-28-9 Catalog No: AG001D6S MDL No:MFCD12498694
Product Description
Catalog Number:
AG001D6S
Chemical Name:
Cyclohexanecarboxylic acid, 4-methylene-, ethyl ester
CAS Number:
145576-28-9
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
MDL Number:
MFCD12498694
IUPAC Name:
ethyl 4-methylidenecyclohexane-1-carboxylate
InChI:
InChI=1S/C10H16O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h9H,2-7H2,1H3
InChI Key:
DLVGFWIRQAUWDC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCC(=C)CC1
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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