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89329-55-5

89329-55-5 | 6-Nonen-3-one, 1-(2-methyl-1,3-dioxolan-2-yl)-2-nitro-, (Z)-

CAS No: 89329-55-5 Catalog No: AG003ZK9 MDL No:

Product Description

Catalog Number:
AG003ZK9
Chemical Name:
6-Nonen-3-one, 1-(2-methyl-1,3-dioxolan-2-yl)-2-nitro-, (Z)-
CAS Number:
89329-55-5
Molecular Formula:
C13H21NO5
Molecular Weight:
271.3095
IUPAC Name:
1-(2-methyl-1,3-dioxolan-2-yl)-2-nitronon-6-en-3-one
InChI:
InChI=1S/C13H21NO5/c1-3-4-5-6-7-12(15)11(14(16)17)10-13(2)18-8-9-19-13/h4-5,11H,3,6-10H2,1-2H3
InChI Key:
MEUJLWPASYJODS-UHFFFAOYSA-N
SMILES:
CC/C=C\CCC(=O)C([N+](=O)[O-])CC1(C)OCCO1

Properties

Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.142g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.313g/mol
Monoisotopic Mass:
271.142g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.9  

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