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89770-21-8 | Propanedinitrile, (2-amino-3-cyano-8-methoxy-4H-1-benzopyran-4-yl)-
CAS No: 89770-21-8 Catalog No: AG00400Z MDL No:
Product Description
Catalog Number:
AG00400Z
Chemical Name:
Propanedinitrile, (2-amino-3-cyano-8-methoxy-4H-1-benzopyran-4-yl)-
CAS Number:
89770-21-8
Molecular Formula:
C14H10N4O2
Molecular Weight:
266.2548
IUPAC Name:
2-(2-amino-3-cyano-8-methoxy-4H-chromen-4-yl)propanedinitrile
InChI:
InChI=1S/C14H10N4O2/c1-19-11-4-2-3-9-12(8(5-15)6-16)10(7-17)14(18)20-13(9)11/h2-4,8,12H,18H2,1H3
InChI Key:
MHJKVBKNJXTABX-UHFFFAOYSA-N
SMILES:
N#CC(C1C(=C(N)Oc2c1cccc2OC)C#N)C#N
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.26g/mol
Monoisotopic Mass:
266.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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