200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 2060028-58-0
2060028-58-0 | 3-(4-nitrophenyl)oxane-3-carbonitrile
CAS No: 2060028-58-0 Catalog No: AG01BYHW MDL No:MFCD30486727
Product Description
Catalog Number:
AG01BYHW
Chemical Name:
3-(4-nitrophenyl)oxane-3-carbonitrile
CAS Number:
2060028-58-0
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD30486727
IUPAC Name:
3-(4-nitrophenyl)oxane-3-carbonitrile
InChI:
InChI=1S/C12H12N2O3/c13-8-12(6-1-7-17-9-12)10-2-4-11(5-3-10)14(15)16/h2-5H,1,6-7,9H2
InChI Key:
MUYCVXNPQAQTEC-UHFFFAOYSA-N
SMILES:
N#CC1(CCCOC1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.