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871482-71-2 | 2-Cyclopenten-1-one,2-(2,6-dimethylheptyl)-3-hydroxy-
CAS No: 871482-71-2 Catalog No: AG004OBY MDL No:
Product Description
Catalog Number:
AG004OBY
Chemical Name:
2-Cyclopenten-1-one,2-(2,6-dimethylheptyl)-3-hydroxy-
CAS Number:
871482-71-2
Molecular Formula:
C14H24O2
Molecular Weight:
224.3392
IUPAC Name:
2-(2,6-dimethylheptyl)-3-hydroxycyclopent-2-en-1-one
InChI:
InChI=1S/C14H24O2/c1-10(2)5-4-6-11(3)9-12-13(15)7-8-14(12)16/h10-11,15H,4-9H2,1-3H3
InChI Key:
PBNJJASTGCMFJN-UHFFFAOYSA-N
SMILES:
CC(CCCC(CC1=C(O)CCC1=O)C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.178g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.344g/mol
Monoisotopic Mass:
224.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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