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138723-07-6 | 1-Propanone, 2-diazo-1-[2-(1,7-octadiyn-1-yl)phenyl]-
CAS No: 138723-07-6 Catalog No: AG0019FE MDL No:
Product Description
Catalog Number:
AG0019FE
Chemical Name:
1-Propanone, 2-diazo-1-[2-(1,7-octadiyn-1-yl)phenyl]-
CAS Number:
138723-07-6
Molecular Formula:
C17H16N2O
Molecular Weight:
264.3217
IUPAC Name:
2-diazo-1-(2-octa-1,7-diynylphenyl)propan-1-one
InChI:
InChI=1S/C17H16N2O/c1-3-4-5-6-7-8-11-15-12-9-10-13-16(15)17(20)14(2)19-18/h1,9-10,12-13H,4-7H2,2H3
InChI Key:
OCSCJEZBBKIRRT-UHFFFAOYSA-N
SMILES:
C#CCCCCC#Cc1ccccc1C(=O)C(=[N+]=[N-])C
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.328g/mol
Monoisotopic Mass:
264.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
19.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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