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37527-66-5 | 4-Isocyanato-1,2-dimethoxybenzene
CAS No: 37527-66-5 Catalog No: AG003LL3 MDL No:MFCD01863688
Product Description
Catalog Number:
AG003LL3
Chemical Name:
4-Isocyanato-1,2-dimethoxybenzene
CAS Number:
37527-66-5
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD01863688
IUPAC Name:
4-isocyanato-1,2-dimethoxybenzene
InChI:
InChI=1S/C9H9NO3/c1-12-8-4-3-7(10-6-11)5-9(8)13-2/h3-5H,1-2H3
InChI Key:
NYTBFFZQIRSGLL-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(c(c1)OC)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:
2.9
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