Home Other Building Blocks 3-isocyanato-2H-chromene

3-isocyanato-2H-chromene

CAS No.:
2071700-86-0
Catalog Number:
AG01AM68
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
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Product Description
Catalog Number:
AG01AM68
Chemical Name:
3-isocyanato-2H-chromene
CAS Number:
2071700-86-0
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
IUPAC Name:
3-isocyanato-2H-chromene
InChI:
InChI=1S/C10H7NO2/c12-7-11-9-5-8-3-1-2-4-10(8)13-6-9/h1-5H,6H2
InChI Key:
CIROYHXZUTYXDG-UHFFFAOYSA-N
SMILES:
O=C=NC1=Cc2c(OC1)cccc2
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.171g/mol
Monoisotopic Mass:
173.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties