Home Other Building Blocks 1-isocyanato-2,3-dimethoxybenzene

1-isocyanato-2,3-dimethoxybenzene

CAS No.:
78645-88-2
Catalog Number:
AG019KHW
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
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Product Description
Catalog Number:
AG019KHW
Chemical Name:
1-isocyanato-2,3-dimethoxybenzene
CAS Number:
78645-88-2
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD08444550
IUPAC Name:
1-isocyanato-2,3-dimethoxybenzene
InChI:
InChI=1S/C9H9NO3/c1-12-8-5-3-4-7(10-6-11)9(8)13-2/h3-5H,1-2H3
InChI Key:
CAJBJSNTODHAAU-UHFFFAOYSA-N
SMILES:
O=C=Nc1cccc(c1OC)OC
Properties
Complexity:
201  
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  
Properties