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116261-36-0 | Cyclopentanone, 2-hydroxy-2-(2Z)-2-octen-1-yl-, (2R)-
CAS No: 116261-36-0 Catalog No: AG000C1T MDL No:
Product Description
Catalog Number:
AG000C1T
Chemical Name:
Cyclopentanone, 2-hydroxy-2-(2Z)-2-octen-1-yl-, (2R)-
CAS Number:
116261-36-0
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
2-hydroxy-2-oct-2-enylcyclopentan-1-one
InChI:
InChI=1S/C13H22O2/c1-2-3-4-5-6-7-10-13(15)11-8-9-12(13)14/h6-7,15H,2-5,8-11H2,1H3
InChI Key:
SSWUJYNEUBBCRM-UHFFFAOYSA-N
SMILES:
CCCCC/C=C\C[C@]1(O)CCCC1=O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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