Home Nitriles 2,2-Dimethyl-2H-chromene-6-carbonitrile

2,2-Dimethyl-2H-chromene-6-carbonitrile

CAS No.:
33143-29-2
Catalog Number:
AG0032WZ
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
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Product Description
Catalog Number:
AG0032WZ
Chemical Name:
2,2-Dimethyl-2H-chromene-6-carbonitrile
CAS Number:
33143-29-2
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
MDL Number:
MFCD00084978
IUPAC Name:
2,2-dimethylchromene-6-carbonitrile
InChI:
InChI=1S/C12H11NO/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12/h3-7H,1-2H3
InChI Key:
YDEQIYMIVRCVAH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)C=CC(O2)(C)C
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties