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122795-45-3 | Cyclopentanone, 2-(hydroxymethyl)-2-nonyl-, (S)- (9CI)
CAS No: 122795-45-3 Catalog No: AG000JHP MDL No:
Product Description
Catalog Number:
AG000JHP
Chemical Name:
Cyclopentanone, 2-(hydroxymethyl)-2-nonyl-, (S)- (9CI)
CAS Number:
122795-45-3
Molecular Formula:
C15H28O2
Molecular Weight:
240.3816
IUPAC Name:
(2S)-2-(hydroxymethyl)-2-nonylcyclopentan-1-one
InChI:
InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-11-15(13-16)12-9-10-14(15)17/h16H,2-13H2,1H3/t15-/m0/s1
InChI Key:
ZKSYWXZTXDTILO-HNNXBMFYSA-N
SMILES:
CCCCCCCCC[C@@]1(CO)CCCC1=O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
240.209g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.387g/mol
Monoisotopic Mass:
240.209g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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