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86218-60-2 | 2-Octanone,3-(dimethylamino)-4-ethyl-
CAS No: 86218-60-2 Catalog No: AG004SQ1 MDL No:
Product Description
Catalog Number:
AG004SQ1
Chemical Name:
2-Octanone,3-(dimethylamino)-4-ethyl-
CAS Number:
86218-60-2
Molecular Formula:
C12H25NO
Molecular Weight:
199.3330
IUPAC Name:
3-(dimethylamino)-4-ethyloctan-2-one
InChI:
InChI=1S/C12H25NO/c1-6-8-9-11(7-2)12(10(3)14)13(4)5/h11-12H,6-9H2,1-5H3
InChI Key:
OAQOGWHPYWQUMY-UHFFFAOYSA-N
SMILES:
CCCCC(C(C(=O)C)N(C)C)CC
NSC Number:
6419
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.194g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.338g/mol
Monoisotopic Mass:
199.194g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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