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15058-15-8 | Propanedinitrile, 2-(2-methyl-4H-1-benzopyran-4-ylidene)-
CAS No: 15058-15-8 Catalog No: AG001MR4 MDL No:
Product Description
Catalog Number:
AG001MR4
Chemical Name:
Propanedinitrile, 2-(2-methyl-4H-1-benzopyran-4-ylidene)-
CAS Number:
15058-15-8
Molecular Formula:
C13H8N2O
Molecular Weight:
208.2154
IUPAC Name:
2-(2-methylchromen-4-ylidene)propanedinitrile
InChI:
InChI=1S/C13H8N2O/c1-9-6-12(10(7-14)8-15)11-4-2-3-5-13(11)16-9/h2-6H,1H3
InChI Key:
GBJXKRIRSDZFGG-UHFFFAOYSA-N
SMILES:
N#CC(=C1C=C(C)Oc2c1cccc2)C#N
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.22g/mol
Monoisotopic Mass:
208.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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