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13899-74-6 | 5-Hepten-2-one, 1-diazo-6-methyl-
CAS No: 13899-74-6 Catalog No: AG0019ZP MDL No:
Product Description
Catalog Number:
AG0019ZP
Chemical Name:
5-Hepten-2-one, 1-diazo-6-methyl-
CAS Number:
13899-74-6
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
IUPAC Name:
1-diazo-6-methylhept-5-en-2-one
InChI:
InChI=1S/C8H12N2O/c1-7(2)4-3-5-8(11)6-10-9/h4,6H,3,5H2,1-2H3
InChI Key:
QMTTWKFSGLUQDU-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=CC(=O)CCC=C(C)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
19.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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