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115399-60-5

115399-60-5 | Heptanoic acid, 2-diazo-6-hydroxy-3-oxo-, ethyl ester

CAS No: 115399-60-5 Catalog No: AG000FXG MDL No:

Product Description

Catalog Number:
AG000FXG
Chemical Name:
Heptanoic acid, 2-diazo-6-hydroxy-3-oxo-, ethyl ester
CAS Number:
115399-60-5
Molecular Formula:
C9H14N2O4
Molecular Weight:
214.2185
IUPAC Name:
ethyl 2-diazo-6-hydroxy-3-oxoheptanoate
InChI:
InChI=1S/C9H14N2O4/c1-3-15-9(14)8(11-10)7(13)5-4-6(2)12/h6,12H,3-5H2,1-2H3
InChI Key:
KQUSPGSWBBXGIO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=[N+]=[N-])C(=O)CCC(O)C

Properties

Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.221g/mol
Monoisotopic Mass:
214.095g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.7  

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