Home Other Building Blocks 4-isocyanato-3,4-dihydro-2H-1-benzopyran

4-isocyanato-3,4-dihydro-2H-1-benzopyran

CAS No.:
1333810-95-9
Catalog Number:
AG01AKMW
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
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Product Description
Catalog Number:
AG01AKMW
Chemical Name:
4-isocyanato-3,4-dihydro-2H-1-benzopyran
CAS Number:
1333810-95-9
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD18269726
IUPAC Name:
4-isocyanato-3,4-dihydro-2H-chromene
InChI:
InChI=1S/C10H9NO2/c12-7-11-9-5-6-13-10-4-2-1-3-8(9)10/h1-4,9H,5-6H2
InChI Key:
AXOVCCFEDUFHIU-UHFFFAOYSA-N
SMILES:
O=C=NC1CCOc2c1cccc2
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties