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89197-60-4 | Chroman-3-carbonitrile
CAS No: 89197-60-4 Catalog No: AG003VWF MDL No:MFCD18367160
Product Description
Catalog Number:
AG003VWF
Chemical Name:
Chroman-3-carbonitrile
CAS Number:
89197-60-4
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD18367160
IUPAC Name:
3,4-dihydro-2H-chromene-3-carbonitrile
InChI:
InChI=1S/C10H9NO/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-4,8H,5,7H2
InChI Key:
KNCKBYYGFRTCKN-UHFFFAOYSA-N
SMILES:
N#CC1COc2c(C1)cccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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