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Home Carboxys methyl 4-(propan-2-yloxy)cyclohexane-1-carboxylate, Mixture of isomers

methyl 4-(propan-2-yloxy)cyclohexane-1-carboxylate, Mixture of isomers

CAS No.:
1224582-23-3
Catalog Number:
AG01BHJO
Molecular Formula:
C11H20O3
Molecular Weight:
200.2747
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Product Description
Catalog Number:
AG01BHJO
Chemical Name:
methyl 4-(propan-2-yloxy)cyclohexane-1-carboxylate, Mixture of isomers
CAS Number:
1224582-23-3
Molecular Formula:
C11H20O3
Molecular Weight:
200.2747
MDL Number:
MFCD23134171
IUPAC Name:
methyl 4-propan-2-yloxycyclohexane-1-carboxylate
InChI:
InChI=1S/C11H20O3/c1-8(2)14-10-6-4-9(5-7-10)11(12)13-3/h8-10H,4-7H2,1-3H3
InChI Key:
LQSIDDBRTITWIG-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCC(CC1)OC(C)C
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.141g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.278g/mol
Monoisotopic Mass:
200.141g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties