200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 1010-54-4
1010-54-4 | 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-methyl-4-phenyl-
CAS No: 1010-54-4 Catalog No: AG0003GF MDL No:MFCD03787260
Product Description
Catalog Number:
AG0003GF
Chemical Name:
3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-methyl-4-phenyl-
CAS Number:
1010-54-4
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD03787260
IUPAC Name:
3-methyl-4-phenyl-1H-1,2,4-triazol-5-one
InChI:
InChI=1S/C9H9N3O/c1-7-10-11-9(13)12(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13)
InChI Key:
CCPJMTJIFZSNOH-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c(=O)n1c1ccccc1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.