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821799-92-2 | 4-Undecanone, 7-ethyl-6-hydroxy-2-methyl-
CAS No: 821799-92-2 Catalog No: AG0056PE MDL No:
Product Description
Catalog Number:
AG0056PE
Chemical Name:
4-Undecanone, 7-ethyl-6-hydroxy-2-methyl-
CAS Number:
821799-92-2
Molecular Formula:
C14H28O2
Molecular Weight:
228.3709
IUPAC Name:
7-ethyl-6-hydroxy-2-methylundecan-4-one
InChI:
InChI=1S/C14H28O2/c1-5-7-8-12(6-2)14(16)10-13(15)9-11(3)4/h11-12,14,16H,5-10H2,1-4H3
InChI Key:
NPEOUBXYFMOPQJ-UHFFFAOYSA-N
SMILES:
CCCCC(C(CC(=O)CC(C)C)O)CC
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.209g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.376g/mol
Monoisotopic Mass:
228.209g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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