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113962-04-2 | Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl ester
CAS No: 113962-04-2 Catalog No: AG000A64 MDL No:
Product Description
Catalog Number:
AG000A64
Chemical Name:
Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl ester
CAS Number:
113962-04-2
Molecular Formula:
C10H17IO2
Molecular Weight:
296.1452
IUPAC Name:
ethyl 4-iodo-2-methylcyclohexane-1-carboxylate
InChI:
InChI=1S/C10H17IO2/c1-3-13-10(12)9-5-4-8(11)6-7(9)2/h7-9H,3-6H2,1-2H3
InChI Key:
VCYRCZHXDDPHQG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCC(CC1C)I
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.027g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.148g/mol
Monoisotopic Mass:
296.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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