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1016-19-9 | Benzene, 5-isocyanato-1,2,3-trimethoxy-
CAS No: 1016-19-9 Catalog No: AG0004YA MDL No:MFCD00013861
Product Description
Catalog Number:
AG0004YA
Chemical Name:
Benzene, 5-isocyanato-1,2,3-trimethoxy-
CAS Number:
1016-19-9
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD00013861
IUPAC Name:
5-isocyanato-1,2,3-trimethoxybenzene
InChI:
InChI=1S/C10H11NO4/c1-13-8-4-7(11-6-12)5-9(14-2)10(8)15-3/h4-5H,1-3H3
InChI Key:
MJJXWPHZDBIHIM-UHFFFAOYSA-N
SMILES:
O=C=Nc1cc(OC)c(c(c1)OC)OC
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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