Home Other Building Blocks 2-(isocyanatomethyl)-1,4-dimethoxybenzene

2-(isocyanatomethyl)-1,4-dimethoxybenzene

CAS No.:
93489-30-6
Catalog Number:
AG01EJYH
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
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Product Description
Catalog Number:
AG01EJYH
Chemical Name:
2-(isocyanatomethyl)-1,4-dimethoxybenzene
CAS Number:
93489-30-6
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD11593161
IUPAC Name:
2-(isocyanatomethyl)-1,4-dimethoxybenzene
InChI:
InChI=1S/C10H11NO3/c1-13-9-3-4-10(14-2)8(5-9)6-11-7-12/h3-5H,6H2,1-2H3
InChI Key:
YRARSQMDVRGIHH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CN=C=O)OC
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties