200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1001-51-0
1001-51-0 | 1-Buten-3-yne, 1-nitro-
CAS No: 1001-51-0 Catalog No: AG0000Y6 MDL No:
Product Description
Catalog Number:
AG0000Y6
Chemical Name:
1-Buten-3-yne, 1-nitro-
CAS Number:
1001-51-0
Molecular Formula:
C4H3NO2
Molecular Weight:
97.0721
IUPAC Name:
1-nitrobut-1-en-3-yne
InChI:
InChI=1S/C4H3NO2/c1-2-3-4-5(6)7/h1,3-4H
InChI Key:
DFDCNBNOASPXGZ-UHFFFAOYSA-N
SMILES:
C#CC=C[N+](=O)[O-]
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.016g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
97.073g/mol
Monoisotopic Mass:
97.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.