200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 128870-13-3
128870-13-3 | Acetonitrile, hydrate (9CI)
CAS No: 128870-13-3 Catalog No: AG000YFJ MDL No:
Product Description
Catalog Number:
AG000YFJ
Chemical Name:
Acetonitrile, hydrate (9CI)
CAS Number:
128870-13-3
Molecular Formula:
C2H5NO
Molecular Weight:
59.0672
IUPAC Name:
acetonitrile;hydrate
InChI:
InChI=1S/C2H3N.H2O/c1-2-3;/h1H3;1H2
InChI Key:
PBCJIPOGFJYBJE-UHFFFAOYSA-N
SMILES:
CC#N.O
Properties
Complexity:
29.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
59.037g/mol
Formal Charge:
0
Heavy Atom Count:
4
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
59.068g/mol
Monoisotopic Mass:
59.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.