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177084-71-8 | Pentanal, 2-diazo-4-methyl-3-oxo-
CAS No: 177084-71-8 Catalog No: AG00253P MDL No:MFCD25960111
Product Description
Catalog Number:
AG00253P
Chemical Name:
Pentanal, 2-diazo-4-methyl-3-oxo-
CAS Number:
177084-71-8
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD25960111
IUPAC Name:
2-diazo-4-methyl-3-oxopentanal
InChI:
InChI=1S/C6H8N2O2/c1-4(2)6(10)5(3-9)8-7/h3-4H,1-2H3
InChI Key:
GWCYLXGSHVHYOM-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C(C(=O)C(C)C)C=O
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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