200,000+ products from a single source!
sales@angenechem.com
125702-57-0 | 3,5-Hexadiyn-2-one, 6-(methylphenylamino)-
CAS No: 125702-57-0 Catalog No: AG000OHT MDL No:
Product Description
Catalog Number:
AG000OHT
Chemical Name:
3,5-Hexadiyn-2-one, 6-(methylphenylamino)-
CAS Number:
125702-57-0
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
IUPAC Name:
6-(N-methylanilino)hexa-3,5-diyn-2-one
InChI:
InChI=1S/C13H11NO/c1-12(15)8-6-7-11-14(2)13-9-4-3-5-10-13/h3-5,9-10H,1-2H3
InChI Key:
KPWPWCYJQOZLNT-UHFFFAOYSA-N
SMILES:
CN(c1ccccc1)C#CC#CC(=O)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.