200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 58004-56-1
58004-56-1 | 2-isocyanatoacetonitrile
CAS No: 58004-56-1 Catalog No: AG01FP9Q MDL No:MFCD24229572
Product Description
Catalog Number:
AG01FP9Q
Chemical Name:
2-isocyanatoacetonitrile
CAS Number:
58004-56-1
Molecular Formula:
C3H2N2O
Molecular Weight:
82.0608
MDL Number:
MFCD24229572
IUPAC Name:
2-isocyanatoacetonitrile
InChI:
InChI=1S/C3H2N2O/c4-1-2-5-3-6/h2H2
InChI Key:
ZDWVJYRUMXFJOU-UHFFFAOYSA-N
SMILES:
N#CCN=C=O
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
82.017g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
82.062g/mol
Monoisotopic Mass:
82.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.