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89450-51-1 | 2-Cyclopenten-1-one, 2-(dimethylamino)-3-hexyl-
CAS No: 89450-51-1 Catalog No: AG0042VX MDL No:
Product Description
Catalog Number:
AG0042VX
Chemical Name:
2-Cyclopenten-1-one, 2-(dimethylamino)-3-hexyl-
CAS Number:
89450-51-1
Molecular Formula:
C13H23NO
Molecular Weight:
209.3278
IUPAC Name:
2-(dimethylamino)-3-hexylcyclopent-2-en-1-one
InChI:
InChI=1S/C13H23NO/c1-4-5-6-7-8-11-9-10-12(15)13(11)14(2)3/h4-10H2,1-3H3
InChI Key:
OYXHUEJTERVHCI-UHFFFAOYSA-N
SMILES:
CCCCCCC1=C(N(C)C)C(=O)CC1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.333g/mol
Monoisotopic Mass:
209.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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