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79894-05-6

79894-05-6 | Oxacyclotridec-10-en-2-one, (10Z)-

CAS No: 79894-05-6 Catalog No: AG004ZDV MDL No:

Product Description

Catalog Number:
AG004ZDV
Chemical Name:
Oxacyclotridec-10-en-2-one, (10Z)-
CAS Number:
79894-05-6
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
1-oxacyclotridec-10-en-2-one
InChI:
InChI=1S/C12H20O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h5,7H,1-4,6,8-11H2
InChI Key:
FZKPUQQWULXMCD-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCC/C=C\CCO1

Properties

Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.7  

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