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101564-26-5 | Cyclohexanecarboxylic acid, 4-nonyl-
CAS No: 101564-26-5 Catalog No: AG0004T9 MDL No:
Product Description
Catalog Number:
AG0004T9
Chemical Name:
Cyclohexanecarboxylic acid, 4-nonyl-
CAS Number:
101564-26-5
Molecular Formula:
C16H30O2
Molecular Weight:
254.4082
IUPAC Name:
4-nonylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h14-15H,2-13H2,1H3,(H,17,18)
InChI Key:
ZSIQDVRFEYRRQX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC1CCC(CC1)C(=O)O
NSC Number:
168967
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.225g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.414g/mol
Monoisotopic Mass:
254.225g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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