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28797-01-5 | 2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-pentyl-
CAS No: 28797-01-5 Catalog No: AG002WIP MDL No:
Product Description
Catalog Number:
AG002WIP
Chemical Name:
2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-pentyl-
CAS Number:
28797-01-5
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
4-hydroxy-3-methyl-2-pentylcyclopent-2-en-1-one
InChI:
InChI=1S/C11H18O2/c1-3-4-5-6-9-8(2)10(12)7-11(9)13/h10,12H,3-7H2,1-2H3
InChI Key:
KPXHHHHMZICWTO-UHFFFAOYSA-N
SMILES:
CCCCCC1=C(C)C(CC1=O)O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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