200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 54132-76-2
54132-76-2 | 1-Isocyanato-3,5-dimethoxybenzene
CAS No: 54132-76-2 Catalog No: AG003EG3 MDL No:MFCD00013862
Product Description
Catalog Number:
AG003EG3
Chemical Name:
1-Isocyanato-3,5-dimethoxybenzene
CAS Number:
54132-76-2
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD00013862
IUPAC Name:
1-isocyanato-3,5-dimethoxybenzene
InChI:
InChI=1S/C9H9NO3/c1-12-8-3-7(10-6-11)4-9(5-8)13-2/h3-5H,1-2H3
InChI Key:
LEKQOUWMYSIQII-UHFFFAOYSA-N
SMILES:
COc1cc(N=C=O)cc(c1)OC
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.