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57198-56-8 | 1-(Isocyanatomethyl)-3-methoxybenzene
CAS No: 57198-56-8 Catalog No: AG003D3C MDL No:MFCD03427184
Product Description
Catalog Number:
AG003D3C
Chemical Name:
1-(Isocyanatomethyl)-3-methoxybenzene
CAS Number:
57198-56-8
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD03427184
IUPAC Name:
1-(isocyanatomethyl)-3-methoxybenzene
InChI:
InChI=1S/C9H9NO2/c1-12-9-4-2-3-8(5-9)6-10-7-11/h2-5H,6H2,1H3
InChI Key:
QWGAJMDRYUIPIT-UHFFFAOYSA-N
SMILES:
O=C=NCc1cccc(c1)OC
Properties
Complexity:
175
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:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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