Home Other Building Blocks 7-isocyanato-4-methyl-2H-chromen-2-one

7-isocyanato-4-methyl-2H-chromen-2-one

CAS No.:
139374-47-3
Catalog Number:
AG01ADA9
Molecular Formula:
C11H7NO3
Molecular Weight:
201.1782
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Product Description
Catalog Number:
AG01ADA9
Chemical Name:
7-isocyanato-4-methyl-2H-chromen-2-one
CAS Number:
139374-47-3
Molecular Formula:
C11H7NO3
Molecular Weight:
201.1782
MDL Number:
MFCD24450478
IUPAC Name:
7-isocyanato-4-methylchromen-2-one
InChI:
InChI=1S/C11H7NO3/c1-7-4-11(14)15-10-5-8(12-6-13)2-3-9(7)10/h2-5H,1H3
InChI Key:
YCEHPUBNERNXNP-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc2c(c1)oc(=O)cc2C
Properties
Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.043g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.181g/mol
Monoisotopic Mass:
201.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties