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921771-23-5

921771-23-5 | 2-Cyclopenten-1-one, 4-[(2S)-1,4-dioxaspiro[4.5]dec-2-yl]-, (4R)-

CAS No: 921771-23-5 Catalog No: AG006GKH MDL No:

Product Description

Catalog Number:
AG006GKH
Chemical Name:
2-Cyclopenten-1-one, 4-[(2S)-1,4-dioxaspiro[4.5]dec-2-yl]-, (4R)-
CAS Number:
921771-23-5
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
(4R)-4-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]cyclopent-2-en-1-one
InChI:
InChI=1S/C13H18O3/c14-11-5-4-10(8-11)12-9-15-13(16-12)6-2-1-3-7-13/h4-5,10,12H,1-3,6-9H2/t10-,12+/m0/s1
InChI Key:
ISRQBGGSZAITHZ-CMPLNLGQSA-N
SMILES:
O=C1C=C[C@@H](C1)[C@H]1COC2(O1)CCCCC2

Properties

Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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