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113405-28-0 | Cyclohexanone, 3-(2-ethoxyethoxy)-2,2-dimethyl-, (S)- (9CI)
CAS No: 113405-28-0 Catalog No: AG0008HI MDL No:
Product Description
Catalog Number:
AG0008HI
Chemical Name:
Cyclohexanone, 3-(2-ethoxyethoxy)-2,2-dimethyl-, (S)- (9CI)
CAS Number:
113405-28-0
Molecular Formula:
C12H22O3
Molecular Weight:
214.3013
IUPAC Name:
3-(2-ethoxyethoxy)-2,2-dimethylcyclohexan-1-one
InChI:
InChI=1S/C12H22O3/c1-4-14-8-9-15-11-7-5-6-10(13)12(11,2)3/h11H,4-9H2,1-3H3
InChI Key:
DMOLOJVUUYCOCQ-UHFFFAOYSA-N
SMILES:
CCOCCO[C@H]1CCCC(=O)C1(C)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.305g/mol
Monoisotopic Mass:
214.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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