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80524-86-3 | 2-Pentanone, 1-diazo-3-methyl-
CAS No: 80524-86-3 Catalog No: AG005KN9 MDL No:
Product Description
Catalog Number:
AG005KN9
Chemical Name:
2-Pentanone, 1-diazo-3-methyl-
CAS Number:
80524-86-3
Molecular Formula:
C6H10N2O
Molecular Weight:
126.1564
IUPAC Name:
1-diazo-3-methylpentan-2-one
InChI:
InChI=1S/C6H10N2O/c1-3-5(2)6(9)4-8-7/h4-5H,3H2,1-2H3
InChI Key:
URGPKWIALKFZID-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=CC(=O)C(CC)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.159g/mol
Monoisotopic Mass:
126.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
19.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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