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820247-70-9 | 1,4-Pentanediol, 1-cyclohexyl-
CAS No: 820247-70-9 Catalog No: AG005388 MDL No:
Product Description
Catalog Number:
AG005388
Chemical Name:
1,4-Pentanediol, 1-cyclohexyl-
CAS Number:
820247-70-9
Molecular Formula:
C11H22O2
Molecular Weight:
186.2912
IUPAC Name:
1-cyclohexylpentane-1,4-diol
InChI:
InChI=1S/C11H22O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h9-13H,2-8H2,1H3
InChI Key:
INMHCVWJVNLXCB-UHFFFAOYSA-N
SMILES:
OC(C1CCCCC1)CCC(O)C
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.162g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.295g/mol
Monoisotopic Mass:
186.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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