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143676-08-8 | 2-Heptanone, 1-cyclohexyl-1-hydroxy-
CAS No: 143676-08-8 Catalog No: AG001I5O MDL No:
Product Description
Catalog Number:
AG001I5O
Chemical Name:
2-Heptanone, 1-cyclohexyl-1-hydroxy-
CAS Number:
143676-08-8
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
IUPAC Name:
1-cyclohexyl-1-hydroxyheptan-2-one
InChI:
InChI=1S/C13H24O2/c1-2-3-5-10-12(14)13(15)11-8-6-4-7-9-11/h11,13,15H,2-10H2,1H3
InChI Key:
KDNZGAUYXFDQFQ-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)C(C1CCCCC1)O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.333g/mol
Monoisotopic Mass:
212.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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