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1984-21-0 | BENZENE, 1-ISOCYANO-2,4-DIMETHOXY-
CAS No: 1984-21-0 Catalog No: AG002BI3 MDL No:MFCD04117585
Product Description
Catalog Number:
AG002BI3
Chemical Name:
BENZENE, 1-ISOCYANO-2,4-DIMETHOXY-
CAS Number:
1984-21-0
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD04117585
IUPAC Name:
1-isocyano-2,4-dimethoxybenzene
InChI:
InChI=1S/C9H9NO2/c1-10-8-5-4-7(11-2)6-9(8)12-3/h4-6H,2-3H3
InChI Key:
UWUHRFMQCCSKEO-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1[N+]#[C-]
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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