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16695-59-3 | Ethanone, 2,2-dimethoxy-1-(1-piperidinyl)-
CAS No: 16695-59-3 Catalog No: AG001X1A MDL No:MFCD08689667
Product Description
Catalog Number:
AG001X1A
Chemical Name:
Ethanone, 2,2-dimethoxy-1-(1-piperidinyl)-
CAS Number:
16695-59-3
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
MDL Number:
MFCD08689667
IUPAC Name:
2,2-dimethoxy-1-piperidin-1-ylethanone
InChI:
InChI=1S/C9H17NO3/c1-12-9(13-2)8(11)10-6-4-3-5-7-10/h9H,3-7H2,1-2H3
InChI Key:
WQAKEXCQFZNEFH-UHFFFAOYSA-N
SMILES:
COC(C(=O)N1CCCCC1)OC
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.239g/mol
Monoisotopic Mass:
187.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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