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115399-63-8 | Heptanoic acid, 2-diazo-7-hydroxy-3-oxo-, ethyl ester
CAS No: 115399-63-8 Catalog No: AG000FXE MDL No:
Product Description
Catalog Number:
AG000FXE
Chemical Name:
Heptanoic acid, 2-diazo-7-hydroxy-3-oxo-, ethyl ester
CAS Number:
115399-63-8
Molecular Formula:
C9H14N2O4
Molecular Weight:
214.2185
IUPAC Name:
ethyl 2-diazo-7-hydroxy-3-oxoheptanoate
InChI:
InChI=1S/C9H14N2O4/c1-2-15-9(14)8(11-10)7(13)5-3-4-6-12/h12H,2-6H2,1H3
InChI Key:
QHIGHDKWWHCJDL-UHFFFAOYSA-N
SMILES:
OCCCCC(=O)C(=[N+]=[N-])C(=O)OCC
Properties
Complexity:
282
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:
8
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.6
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