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85085-86-5 | Cyclohexanol, isononyl- (9CI)
CAS No: 85085-86-5 Catalog No: AG004RQE MDL No:
Product Description
Catalog Number:
AG004RQE
Chemical Name:
Cyclohexanol, isononyl- (9CI)
CAS Number:
85085-86-5
Molecular Formula:
C15H30O
Molecular Weight:
226.3981
IUPAC Name:
1-(7-methyloctyl)cyclohexan-1-ol
InChI:
InChI=1S/C15H30O/c1-14(2)10-6-3-4-7-11-15(16)12-8-5-9-13-15/h14,16H,3-13H2,1-2H3
InChI Key:
GDWQPPQLAQZNAX-UHFFFAOYSA-N
SMILES:
CC(CCCCCCC1(O)CCCCC1)C
EC Number:
285-405-2
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.23g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.404g/mol
Monoisotopic Mass:
226.23g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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